Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50068909
Substrate
n/a
Meas. Tech.
ChEBML_49618
Ki
207±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
More Info.:
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:
BDBM50068909
Synonyms:
3-(2,2-Difluoro-4-{[(S)-1-((S)-2-methanesulfonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-oxo-5-phenyl-pentanoylamino)-benzoic acid | CHEMBL171801
Type:
Small organic molecule
Emp. Form.:
C29H34F2N4O8S
Mol. Mass.:
636.664
SMILES:
CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O