Reaction Details Report a problem with these data
Target
Alcohol dehydrogenase 1A
Ligand
BDBM50518790
Substrate
n/a
Meas. Tech.
ChEMBL_1872428 (CHEMBL4373595)
IC50
460±n/a nM
Citation
 De Ford, C; Penchalaiah, K; Kreft, A; Humar, M; Heydenreuter, W; Kangani, M; Sieber, SA; Tietze, LF; Merfort, I Bifunctional Duocarmycin Analogues as Inhibitors of Protein Tyrosine Kinases. J Nat Prod 82:16-26 (2019) [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:
BDBM50518790
Synonyms:
CHEMBL4465918
Type:
Small organic molecule
Emp. Form.:
C31H28Cl2N2O4
Mol. Mass.:
563.471
SMILES:
Oc1cc2N(C[C@@H](CCl)c2c2ccccc12)C(=O)CCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 |r|
Structure:
Search PDB for entries with ligand similarity: