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Target
Chymotrypsinogen B2
Ligand
BDBM50520048
Substrate
n/a
Meas. Tech.
ChEMBL_1879019 (CHEMBL4380413)
Ki
0.420000±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:
Chymotrypsinogen B2
Synonyms:
3.4.21.1 | CTRB2 | CTRB2_HUMAN | Chymotrypsin B2 chain A | Chymotrypsin B2 chain B | Chymotrypsin B2 chain C | Chymotrypsinogen B2
Type:
PROTEIN
Mol. Mass.:
27926.36
Organism:
Homo sapiens
Description:
ChEMBL_119704
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCSTTTPAVYARVAKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50520048
Synonyms:
CHEMBL4450993
Type:
Small organic molecule
Emp. Form.:
C71H92N14O20S2
Mol. Mass.:
1525.702
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Structure:
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