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Target
Carboxypeptidase A1
Ligand
BDBM50296420
Substrate
n/a
Meas. Tech.
ChEMBL_580787 (CHEMBL1059769)
Ki
22000±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:
BDBM50296420
Synonyms:
CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy)methyl)-4H-1,2,4-triazol-3-ylthio)-3-methylbutanoate
Type:
Small organic molecule
Emp. Form.:
C20H29N3O3S
Mol. Mass.:
391.528
SMILES:
CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
Structure:
Search PDB for entries with ligand similarity: