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Target
Carboxypeptidase A1
Ligand
BDBM50558424
Substrate
n/a
Meas. Tech.
ChEMBL_2063649 (CHEMBL4718902)
IC50
>22000±n/a nM
Citation
 Harms, H; Kurita, KL; Pan, L; Wahome, PG; He, H; Kinghorn, AD; Carter, GT; Linington, RG Discovery of anabaenopeptin 679 from freshwater algal bloom material: Insights into the structure-activity relationship of anabaenopeptin protease inhibitors. Bioorg Med Chem Lett 26:4960-4965 (2016) [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:
BDBM50558424
Synonyms:
Anabaenopeptin 908
Type:
Small organic molecule
Emp. Form.:
C45H68N10O10
Mol. Mass.:
909.0824
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](CCCNC(N)=N)C(O)=O)C(C)C)[C@@H](C)CC |r|
Structure:
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