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Target
Alcohol dehydrogenase S chain
Ligand
BDBM50226200
Substrate
n/a
Meas. Tech.
ChEMBL_30984 (CHEMBL645176)
Ki
1778±n/a nM
Citation
 Hansch, C; Klein, T; McClarin, J; Langridge, R; Cornell, NW A quantitative structure-activity relationship and molecular graphics analysis of hydrophobic effects in the interactions of inhibitors with alcohol dehydrogenase. J Med Chem 29:615-20 (1986) [PubMed]  Article 
Target
Name:
Alcohol dehydrogenase S chain
Synonyms:
1.1.1.1 | ADH1S_HORSE | Alcohol dehydrogenase S chain
Type:
PROTEIN
Mol. Mass.:
39633.49
Organism:
Equus caballus
Description:
ChEMBL_105061
Residue:
374
Sequence:
MSTAGKVIKCKAAVLWEQKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSDDHVVSGTLVAPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFIPQCGKCSVCKHPEGNLCLKNLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLVGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVAALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGKSIRTILTF
  
Inhibitor
Name:
BDBM50226200
Synonyms:
CHEMBL346707
Type:
Small organic molecule
Emp. Form.:
C8H9NO2
Mol. Mass.:
151.1626
SMILES:
Oc1ccc(CNC=O)cc1
Structure:
Search PDB for entries with ligand similarity: