Reaction Details Report a problem with these data
Target
Carboxypeptidase A1
Ligand
BDBM50478892
Substrate
n/a
Meas. Tech.
ChEMBL_525570 (CHEMBL969981)
IC50
25.4±n/a nM
Citation
 Murakami, M; Suzuki, S; Itou, Y; Kodani, S; Ishida, K New anabaenopeptins, potent carboxypeptidase-A inhibitors from the cyanobacterium Aphanizomenon flos-aquae. J Nat Prod 63:1280-2 (2000) [PubMed]  Article 
Target
Name:
Carboxypeptidase A1
Synonyms:
CBPA1_HUMAN | CPA | CPA1
Type:
PROTEIN
Mol. Mass.:
47132.61
Organism:
Human
Description:
ChEMBL_1496378
Residue:
419
Sequence:
MRGLLVLSVLLGAVFGKEDFVGHQVLRISVADEAQVQKVKELEDLEHLQLDFWRGPAHPGSPIDVRVPFPSIQAVKIFLESHGISYETMIEDVQSLLDEEQEQMFAFRSRARSTDTFNYATYHTLEEIYDFLDLLVAENPHLVSKIQIGNTYEGRPIYVLKFSTGGSKRPAIWIDTGIHSREWVTQASGVWFAKKITQDYGQDAAFTAILDTLDIFLEIVTNPDGFAFTHSTNRMWRKTRSHTAGSLCIGVDPNRNWDAGFGLSGASSNPCSETYHGKFANSEVEVKSIVDFVKDHGNIKAFISIHSYSQLLMYPYGYKTEPVPDQDELDQLSKAAVTALASLYGTKFNYGSIIKAIYQASGSTIDWTYSQGIKYSFTFELRDTGRYGFLLPASQIIPTAKETWLALLTIMEHTLNHPY
  
Inhibitor
Name:
BDBM50478892
Synonyms:
Anabaenopeptin T
Type:
Small organic molecule
Emp. Form.:
C45H67N7O10
Mol. Mass.:
866.0544
SMILES:
[H][C@]1(NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC1=O)NC(=O)N[C@@H]([C@@H](C)CC)C(O)=O)C(C)C)[C@@H](C)CC |r|
Structure:
Search PDB for entries with ligand similarity: