Target
Chymotrypsinogen A
Ligand
BDBM50068901
Substrate
n/a
Meas. Tech.
ChEBML_49618
Ki
19±n/a nM
Citation
 Eda, MAshimori, AAkahoshi, FYoshimura, TInoue, YFukaya, CNakajima, MFukuyama, HImada, TTakai, SShiota, NMiyazaki, MNakamura, 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:
BDBM50068901
Synonyms:
3-[2,2-Difluoro-4-({(S)-1-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyryl]-pyrrolidine-2-carbonyl}-amino)-3-oxo-5-phenyl-pentanoylamino]-benzoic acid | CHEMBL353816
Type:
Small organic molecule
Emp. Form.:
C37H40F2N4O7
Mol. Mass.:
690.7329
SMILES:
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Structure:
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