Reaction Details Report a problem with these data
Target
Carboxypeptidase A1
Ligand
BDBM50411731
Substrate
n/a
Meas. Tech.
ChEMBL_465247 (CHEMBL932068)
Ki
9300±n/a nM
Citation
 Deaton, DN; Gao, EN; Graham, KP; Gross, JW; Miller, AB; Strelow, JM Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite. Bioorg Med Chem Lett 18:732-7 (2008) [PubMed]  Article 
Target
Name:
Carboxypeptidase A1
Synonyms:
CBPA1_HUMAN | CPA | CPA1
Type:
PROTEIN
Mol. Mass.:
47132.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1496378
Residue:
419
Sequence:
MRGLLVLSVLLGAVFGKEDFVGHQVLRISVADEAQVQKVKELEDLEHLQLDFWRGPAHPGSPIDVRVPFPSIQAVKIFLESHGISYETMIEDVQSLLDEEQEQMFAFRSRARSTDTFNYATYHTLEEIYDFLDLLVAENPHLVSKIQIGNTYEGRPIYVLKFSTGGSKRPAIWIDTGIHSREWVTQASGVWFAKKITQDYGQDAAFTAILDTLDIFLEIVTNPDGFAFTHSTNRMWRKTRSHTAGSLCIGVDPNRNWDAGFGLSGASSNPCSETYHGKFANSEVEVKSIVDFVKDHGNIKAFISIHSYSQLLMYPYGYKTEPVPDQDELDQLSKAAVTALASLYGTKFNYGSIIKAIYQASGSTIDWTYSQGIKYSFTFELRDTGRYGFLLPASQIIPTAKETWLALLTIMEHTLNHPY
  
Inhibitor
Name:
BDBM50411731
Synonyms:
CHEMBL257726
Type:
Small organic molecule
Emp. Form.:
C19H21NO3S
Mol. Mass.:
343.44
SMILES:
CC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Structure:
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