Reaction Details Report a problem with these data
Target
Carboxypeptidase A1
Ligand
BDBM50296435
Substrate
n/a
Meas. Tech.
ChEMBL_580787 (CHEMBL1059769)
Ki
217000±n/a nM
Citation
 Fernández, D; Avilés, FX; Vendrell, J A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases. Eur J Med Chem 44:3266-71 (2009) [PubMed]  Article 
Target
Name:
Carboxypeptidase A1
Synonyms:
CBPA1_BOVIN | CPA | CPA1 | Carboxypeptidase A | Carboxypeptidase A (CPA) | Carboxypeptidase A1 precursor
Type:
Enzyme
Mol. Mass.:
47073.90
Organism:
Bos taurus (bovine)
Description:
From Sigma-Aldrich Co.
Residue:
419
Sequence:
MQGLLILSVLLGAALGKEDFVGHQVLRITAADEAEVQTVKELEDLEHLQLDFWRGPGQPGSPIDVRVPFPSLQAVKVFLEAHGIRYRIMIEDVQSLLDEEQEQMFASQSRARSTNTFNYATYHTLDEIYDFMDLLVAEHPQLVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTEDYGQDPSFTAILDSMDIFLEIVTNPDGFAFTHSQNRLWRKTRSVTSSSLCVGVDANRNWDAGFGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKDHGNFKAFLSIHSYSQLLLYPYGYTTQSIPDKTELNQVAKSAVEALKSLYGTSYKYGSIITTIYQASGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIMEHTLNNLY
  
Inhibitor
Name:
BDBM50296435
Synonyms:
2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol-3-ylthio)acetic acid | CHEMBL550865
Type:
Small organic molecule
Emp. Form.:
C20H21N3O2S
Mol. Mass.:
367.465
SMILES:
Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: