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Target
Alcohol dehydrogenase 1A
Ligand
BDBM50368955
Substrate
n/a
Meas. Tech.
ChEMBL_30835 (CHEMBL645234)
Ki
21000±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:
BDBM50368955
Synonyms:
CHEMBL1235132
Type:
Small organic molecule
Emp. Form.:
C21H27N7O14P2
Mol. Mass.:
663.4251
SMILES:
NC(=O)c1cccc([nH+]1)[C@@H]1O[C@H](COP([O-])(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,@@:14|
Structure:
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