queryId subjectDb subjectId identity queryAlnBegin queryAlnEnd sujectAlnBegin subjectAlnEnd subjectDescription evalue bits subjectSite subjectSiteRange subjectSiteSeq querySiteRange querySiteSeq pubMedIds BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 165 N 156 N BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 188 K 179 K BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 263 E 254 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 297 C 288 C BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 394 E 385 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 471 E 462 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 161 I 152 I BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 163 P 154 P BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 188 K 179 K BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 190 A 181 A BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 191 E 182 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 192 Q 183 I BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 221 G 212 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 225 G 216 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 241 G 232 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 242 S 233 S BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 245 T 236 V BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 264 L 255 L BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 297 C 288 C BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 394 E 385 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtl:A 47.7 12 481 19 490 NADPH complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate 396 F 387 F BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 165 N 156 N BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 188 K 179 K BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 263 E 254 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 297 C 288 C BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 394 E 385 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 active site 471 E 462 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 161 I 152 I BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 162 I 153 V BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 163 P 154 P BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 164 W 155 W BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 188 K 179 K BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 191 E 182 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 221 G 212 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 225 G 216 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 226 A 217 D BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 239 F 230 F BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 241 G 232 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 242 S 233 S BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 245 T 236 V BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 248 Y 239 G BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 264 L 255 L BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 297 C 288 C BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 344 Q 335 Q BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 347 R 338 T BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 394 E 385 E BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5gtk:A 47.7 12 481 19 490 NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus 1e-128 455 binding nicotinamide-adenine-dinucleotide 396 F 387 F BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt YF19_SCHPO 46.0 12 481 25 497 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) 1e-123 439 modified: Phosphoserine 248 S 233 S 18257517 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt YF19_SCHPO 46.0 12 481 25 497 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) 1e-123 439 modified: Phosphoserine 501 18257517 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_RAT 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) 1e-121 435 binding 184..186 IPW 153..155 VPW 10320326 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_RAT 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) 1e-121 435 binding 210..213 KPAE 179..182 KPAE 10320326 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 active site 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 active site 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 active site 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 active site 468 E 462 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 112 V 107 Q 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 116 G 111 A 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 162 F 157 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 169 W 164 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 284 Q 278 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 288 F 282 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 295 T 289 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 449 N 443 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 451 L 445 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 452 N 446 D 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide 457 F 451 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 157 I 152 I 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 158 I 153 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 160 W 155 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 184 K 179 K 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 217 G 212 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 221 G 216 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 235 F 230 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 236 T 231 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 237 G 232 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 238 S 233 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 241 V 236 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 261 L 255 L 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5h:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) 1e-121 434 binding nicotinamide-adenine-dinucleotide 393 F 387 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 active site 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 active site 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 active site 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 active site 468 E 462 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 162 F 157 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 165 L 160 M 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 169 W 164 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 288 F 282 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 293 C 287 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 295 T 289 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 449 N 443 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone 451 L 445 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 157 I 152 I 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 158 I 153 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 159 P 154 P 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 160 W 155 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 166 M 161 I 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 184 K 179 K 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 187 E 182 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 217 G 212 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 221 G 216 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 235 F 230 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 236 T 231 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 237 G 232 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 238 S 233 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 241 V 236 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 261 L 255 L 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 391 E 385 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6b5g:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) 1e-121 434 binding nicotinamide-adenine-dinucleotide 393 F 387 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 active site 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 active site 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 active site 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 active site 468 E 462 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 116 G 111 A 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 162 F 157 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 165 L 160 M 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 166 M 161 I 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 169 W 164 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 260 E 254 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 293 C 287 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 294 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 451 L 445 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 452 N 446 D 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) 453 A 447 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 157 I 152 I 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 158 I 153 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 159 P 154 P 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 160 W 155 W 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 161 N 156 N 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 184 K 179 K 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 187 E 182 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 217 G 212 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 221 G 216 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 235 F 230 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 237 G 232 G 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 238 S 233 S 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 241 V 236 V 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 341 Q 335 Q 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 344 K 338 T 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 391 E 385 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6alj:A 48.0 31 483 33 489 Aldh1a2 liganded with NAD and compound win18,446 1e-121 434 binding nicotinamide-adenine-dinucleotide 393 F 387 F 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to V: in dbSNP:rs35365164 110 A 79 A BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to K: in DIH4; decreased retinoic acid biosynthetic process 182 Q 151 A 33565183 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 184..186 IPW 153..155 VPW 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 210..213 KPAE 179..182 KPAE 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 264..266 STE 233..235 SPS 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 active site, Nucleophile 320 C 288 C 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to H: in DIH4; decreased expression; dbSNP:rs141245344 347 R 315 I 33565183,36263470 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to I: in dbSNP:rs4646626 348 V 316 K 14702039,17974005,9819382 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 366..370 KQYNK 334..338 AQMKT 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to T: in DIH4; uncertain significance; dbSNP:rs749124508 383 A 351 A 33565183 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 417 E 385 E 29240402 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to K: in dbSNP:rs34744827 436 E 404 R BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to Y: in DIH4; decreased retinoic acid biosynthetic process 461 S 429 A 33565183 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A2_HUMAN 48.0 31 483 59 515 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 E → G: in dbSNP:rs34266719 50 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 262 E 254 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 470 E 462 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 118 G 111 A 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 168 M 161 I 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 297 I 289 S 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jww:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 262 E 254 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 470 E 462 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 118 G 111 A 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 168 M 161 I 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 297 I 289 S 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwv:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 262 E 254 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 470 E 462 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 159 I 152 I 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 160 I 153 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 161 P 154 P 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 162 W 155 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 189 E 182 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 219 G 212 G 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 223 G 216 G 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 224 A 217 D 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 237 F 230 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 238 T 231 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 239 G 232 G 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 240 S 233 S 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 243 V 236 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 263 L 255 L 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 343 Q 335 Q 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 346 K 338 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding nicotinamide-adenine-dinucleotide 395 F 387 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 171 W 164 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 297 I 289 S 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwu:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 262 E 254 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 470 E 462 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 118 G 111 A 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 168 M 161 I 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 171 W 164 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jwt:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 163 N 156 N 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 186 K 179 K 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 262 E 254 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 296 C 288 C 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 393 E 385 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 active site 470 E 462 E 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 118 G 111 A 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 168 M 161 I 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 171 W 164 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 297 I 289 S 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7jws:A 46.0 10 483 23 491 Crystal structure of human aldh1a1 bound to compound (r)-28 1e-121 434 binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 33341649 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 163 N 156 N 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 186 K 179 K 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 262 E 254 E 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 296 C 288 C 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 393 E 385 E 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 active site 470 E 462 E 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 118 G 111 A 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 122 T 115 T 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 164 F 157 F 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 168 M 161 I 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 171 W 164 W 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 286 H 278 S 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 290 Y 282 F 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 295 C 287 V 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 296 C 288 C 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 297 I 289 S 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 451 G 443 G 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 453 V 445 T 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 459 F 451 W 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 159 I 152 I 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 160 I 153 V 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 161 P 154 P 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 162 W 155 W 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 163 N 156 N 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 186 K 179 K 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 189 E 182 E 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 219 G 212 G 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 220 P 213 R 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 223 G 216 G 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 224 A 217 D 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 237 F 230 F 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 238 T 231 T 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 239 G 232 G 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 240 S 233 S 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 243 V 236 V 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 263 L 255 L 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 296 C 288 C 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 343 Q 335 Q 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 346 K 338 T 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 393 E 385 E 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 6dum:A 46.0 10 483 23 491 Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) 1e-121 434 binding 1,4-dihydronicotinamide adenine dinucleotide 395 F 387 F 30221940 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 163 N 156 N 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 186 K 179 K 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 262 E 254 E 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 296 C 288 C 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 393 E 385 E 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 active site 470 E 462 E 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 118 G 111 A 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 122 T 115 T 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 164 F 157 F 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 287 G 279 G 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 290 Y 282 F 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 295 C 287 V 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 297 I 289 S 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 451 G 443 G 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 453 V 445 T 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 4wp7:A 46.0 10 483 23 491 Structure of human aldh1a1 with inhibitor cm026 1e-121 434 binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione 455 A 447 V 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to S: in dbSNP:rs1049981 121 N 107 Q 8214422 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 167..170 IPWN 153..156 VPWN 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 to F: in dbSNP:rs8187929 177 I 163 M BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 193..196 KPAE 179..182 KPAE 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 226..227 GP 212..213 GR 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 246..247 GS 232..233 GS 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 active site, Proton acceptor 269 E 254 E 3676276 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 269..271 ELG 254..256 ELG 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 mutation C->A,S: Does not prevent inhibition by duocarmycin analogs. 302 C 287 V 26373694 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 active site, Nucleophile 303 C 288 C 3676276 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 349..353 EQYDK 334..338 AQMKT 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 binding 400..402 EIF 385..387 EIF 25450233,25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 mutation to N: No significant effect on aldehyde dehydrogenase... 458 G 443 G 25634381 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 modified: Initiator methionine, Removed 1 6723659 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 modified: N-acetylserine 2 6723659 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase SwissProt AL1A1_HUMAN 46.0 10 483 30 498 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) 1e-121 434 Mediates interaction with PRMT3 336..501 321..483 33495566 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 159 I 152 I 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 160 I 153 V 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 161 P 154 P 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 162 W 155 W 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 163 N 156 N 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 186 K 179 K 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 189 E 182 E 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 219 G 212 G 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 223 G 216 G 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 237 F 230 F 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 238 T 231 T 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 239 G 232 G 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 240 S 233 S 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 243 V 236 V 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 262 E 254 E 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 264 G 256 G 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 343 Q 335 Q 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 346 K 338 T 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 393 E 385 E 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding nicotinamide-adenine-dinucleotide 395 F 387 F 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone 171 W 164 W 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone 286 H 278 S 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone 290 Y 282 F 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone 297 I 289 S 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 7um9:A 46.0 10 483 23 491 Human aldh1a1 with bound compound cm38 1e-121 434 binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone 451 G 443 G 35884498 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 163 N 156 N 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 186 K 179 K 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 262 E 254 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 296 C 288 C 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 393 E 385 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 active site 470 E 462 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 binding 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one 219 G 212 G 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 binding 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one 223 G 216 G 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 binding 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one 224 A 217 D 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 binding 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one 243 V 236 V 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2o:A 46.0 10 483 23 491 Crystal structure of aldh1a1 in complex with buc22 1e-121 434 binding 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one 246 L 239 G 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 163 N 156 N 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 186 K 179 K 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 262 E 254 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 296 C 288 C 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 393 E 385 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 active site 470 E 462 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 164 F 157 F 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 168 M 161 I 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 171 W 164 W 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 286 H 278 S 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 287 G 279 G 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 290 Y 282 F 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 295 C 287 V 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 296 C 288 C 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 297 I 289 S 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 450 Y 442 Y 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 451 G 443 G 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 453 V 445 T 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2n:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc25 1e-121 434 binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 459 F 451 W 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 163 N 156 N 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 186 K 179 K 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 262 E 254 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 296 C 288 C 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 393 E 385 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 active site 470 E 462 E 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one 164 F 157 F 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one 283 F 275 A 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one 286 H 278 S 28219011 BPHYT_RS29875 BPHYT_RS29875 betaine-aldehyde dehydrogenase PDB 5l2m:A 46.0 10 483 23 491 Structure of aldh1a1 in complex with buc11 1e-121 434 binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one 290 Y 282 F 28219011