Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50014731
Substrate
n/a
Meas. Tech.
ChEMBL_216618 (CHEMBL819190)
Ki
79±n/a nM
Citation
 Peet, NP; Burkhart, JP; Angelastro, MR; Giroux, EL; Mehdi, S; Bey, P; Kolb, M; Neises, B; Schirlin, D Synthesis of peptidyl fluoromethyl ketones and peptidyl alpha-keto esters as inhibitors of porcine pancreatic elastase, human neutrophil elastase, and rat and human neutrophil cathepsin G. J Med Chem 33:394-407 (1990) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB
Type:
PROTEIN
Mol. Mass.:
27713.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_10909
Residue:
263
Sequence:
MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50014731
Synonyms:
3-[(1-{2-[2-(3-Methoxycarbonyl-propionylamino)-propionylamino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-2-oxo-4-phenyl-butyric acid methyl ester | CHEMBL130006
Type:
Small organic molecule
Emp. Form.:
C27H36N4O9
Mol. Mass.:
560.5961
SMILES:
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: