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Target
Chymase
Ligand
BDBM50520060
Substrate
n/a
Meas. Tech.
ChEMBL_1879017 (CHEMBL4380411)
Ki
2.2±n/a nM
Citation
 Li, CY; Yap, K; Swedberg, JE; Craik, DJ; de Veer, SJ Binding Loop Substitutions in the Cyclic Peptide SFTI-1 Generate Potent and Selective Chymase Inhibitors. J Med Chem 63:816-826 (2020) [PubMed]  Article 
Target
Name:
Chymase
Synonyms:
Alpha-chymase | CMA1 | CMA1_HUMAN | CYH | CYM | Chymase precursor | Mast cell protease I
Type:
Enzyme
Mol. Mass.:
27340.12
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
247
Sequence:
MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
  
Inhibitor
Name:
BDBM50520060
Synonyms:
CHEMBL4465306
Type:
Small organic molecule
Emp. Form.:
C70H96N18O22S2
Mol. Mass.:
1605.749
SMILES:
Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)cc1 |r|
Structure:
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