Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50098851
Substrate
n/a
Meas. Tech.
ChEMBL_49621 (CHEMBL660459)
Ki
65.1±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
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:
BDBM50098851
Synonyms:
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[1-benzyl-2-(5-fluoro-benzooxazol-2-yl)-2-oxo-ethyl]-acetamide | CHEMBL26171
Type:
Small organic molecule
Emp. Form.:
C28H21F2N5O4
Mol. Mass.:
529.4942
SMILES:
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(F)ccc3o2)c1=O