Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50068888
Substrate
n/a
Meas. Tech.
ChEBML_49618
Ki
11900±n/a nM
Citation
 Eda, M; Ashimori, A; Akahoshi, F; Yoshimura, T; Inoue, Y; Fukaya, C; Nakajima, M; Fukuyama, H; Imada, T; Takai, S; Shiota, N; Miyazaki, M; Nakamura, N Peptidyl human heart chymase inhibitors. 1. Synthesis and inhibitory activity of difluoromethylene ketone derivatives bearing P' binding subsites. Bioorg Med Chem Lett 8:913-8 (1999) [PubMed]  Article 
Target
Name:
Chymotrypsinogen A
Synonyms:
Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin)
Type:
Serine protease
Mol. Mass.:
25670.88
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
245
Sequence:
CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
  
Inhibitor
Name:
BDBM50068888
Synonyms:
CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C33H42F2N4O6
Mol. Mass.:
628.7066
SMILES:
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1
Structure:
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