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Target
Chymotrypsinogen B2
Ligand
BDBM50520050
Substrate
n/a
Meas. Tech.
ChEMBL_1879019 (CHEMBL4380413)
Ki
2900±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:
BDBM50520050
Synonyms:
CHEMBL4457132
Type:
Small organic molecule
Emp. Form.:
C69H94N18O23S2
Mol. Mass.:
1607.721
SMILES:
NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(O)cc3)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](CCCNC(N)=N)C(=O)N2
Structure:
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