Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50098852
Substrate
n/a
Meas. Tech.
ChEMBL_49621 (CHEMBL660459)
Ki
4400±n/a nM
Citation
 Akahoshi, F; Ashimori, A; Sakashita, H; Yoshimura, T; Imada, T; Nakajima, M; Mitsutomi, N; Kuwahara, S; Ohtsuka, T; Fukaya, C; Miyazaki, M; Nakamura, N Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic alpha-keto heterocycles as novel inhibitors of human chymase. J Med Chem 44:1286-96 (2001) [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:
BDBM50098852
Synonyms:
CHEMBL540507 | Hydrochloride salt of1-(2-Amino-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid (1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-amide
Type:
Small organic molecule
Emp. Form.:
C20H26F3N3O3
Mol. Mass.:
413.4339
SMILES:
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: