Reaction Details Report a problem with these data
Target
Alcohol dehydrogenase 1A
Ligand
BDBM50192456
Substrate
n/a
Meas. Tech.
ChEMBL_30836 (CHEMBL645399)
Ki
400±n/a nM
Citation
 Goldstein, BM; Li, H; Jones, JP; Bell, JE; Zeidler, J; Pankiewicz, KW; Watanabe, KA CNAD: a potent and specific inhibitor of alcohol dehydrogenase. J Med Chem 37:392-9 (1994) [PubMed]  Article 
Target
Name:
Alcohol dehydrogenase 1A
Synonyms:
ADH1 | ADH1A | ADH1A_HUMAN | Alcohol dehydrogenase | Alcohol dehydrogenase 1A | Alcohol dehydrogenase alpha chain | Alcohol dehydrogenase subunit alpha
Type:
PROTEIN
Mol. Mass.:
39866.36
Organism:
Homo sapiens (Human)
Description:
ChEMBL_31168
Residue:
375
Sequence:
MSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF
  
Inhibitor
Name:
BDBM50192456
Synonyms:
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(3R,4S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
Type:
Small organic molecule
Emp. Form.:
C21H27N7O14P2
Mol. Mass.:
663.4262
SMILES:
NC(=O)C1=CN(C=CC1)C1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |c:6,t:3|
Structure:
Search PDB for entries with ligand similarity: