Target
Alcohol dehydrogenase S chain
Ligand
BDBM50226187
Substrate
n/a
Meas. Tech.
ChEMBL_30984 (CHEMBL645176)
Ki
8511380±n/a nM
Citation
 Hansch, CKlein, TMcClarin, JLangridge, RCornell, 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:
BDBM50226187
Synonyms:
2,2,2-Trichloro-Acetamide | CHEMBL331157
Type:
Small organic molecule
Emp. Form.:
C2H2Cl3NO
Mol. Mass.:
162.402
SMILES:
NC(=O)C(Cl)(Cl)Cl
Structure:
Search PDB for entries with ligand similarity: