Target
Chymotrypsinogen A
Ligand
BDBM50098860
Substrate
n/a
Meas. Tech.
ChEMBL_49621 (CHEMBL660459)
Ki
229±n/a nM
Citation
 Akahoshi, FAshimori, ASakashita, HYoshimura, TImada, TNakajima, MMitsutomi, NKuwahara, SOhtsuka, TFukaya, CMiyazaki, MNakamura, 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:
BDBM50098860
Synonyms:
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(2-benzooxazol-2-yl-1-benzyl-2-oxo-ethyl)-acetamide | CHEMBL285101
Type:
Small organic molecule
Emp. Form.:
C28H22FN5O4
Mol. Mass.:
511.5038
SMILES:
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ccccc3o2)c1=O
Structure:
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