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Target
Chymotrypsinogen B
Ligand
BDBM50073139
Substrate
n/a
Meas. Tech.
ChEMBL_216467 (CHEMBL818537)
IC50
2.1±n/a nM
Citation
 Iijima, K; Katada, J; Yasuda, E; Uno, I; Hayashi, Y N-[2,2-dimethyl-3-(N-(4-cyanobenzoyl)amino)nonanoyl]-L-phenylalanine ethyl ester as a stable ester-type inhibitor of chymotrypsin-like serine proteases: structural requirements for potent inhibition of alpha-chymotrypsin. J Med Chem 42:312-23 (1999) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB_BOVIN
Type:
PROTEIN
Mol. Mass.:
25751.02
Organism:
Bos taurus
Description:
ChEMBL_216467
Residue:
245
Sequence:
CGVPAIQPVLSGLARIVNGEDAVPGSWPWQVSLQDSTGFHFCGGSLISEDWVVTAAHCGVTTSDVVVAGEFDQGLETEDTQVLKIGKVFKNPKFSILTVRNDITLLKLATPAQFSETVSAVCLPSADEDFPAGMLCATTGWGKTKYNALKTPDKLQQATLPIVSNTDCRKYWGSRVTDVMICAGASGVSSCMGDSGGPLVCQKNGAWTLAGIVSWGSSTCSTSTPAVYARVTALMPWVQETLAAN
  
Inhibitor
Name:
BDBM50073139
Synonyms:
2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenylpentanoic anhydride | CHEMBL108540 | [2,2-dimethyl-3-(N-(4-cyanobenzoyl)aminoi)-5-phenylpentanoic anhydride]
Type:
Small organic molecule
Emp. Form.:
C42H42N4O5
Mol. Mass.:
682.8067
SMILES:
CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Structure:
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