Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50036079
Substrate
n/a
Meas. Tech.
ChEMBL_49452 (CHEMBL659800)
Ki
180±n/a nM
Citation
 Veale, CA; Damewood, JR; Steelman, GB; Bryant, C; Gomes, B; Williams, J Non-peptidic inhibitors of human leukocyte elastase. 4. Design, synthesis, and in vitro and in vivo activity of a series of beta-carbolinone-containing trifluoromethyl ketones. J Med Chem 38:86-97 (1995) [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:
BDBM50036079
Synonyms:
2-(8-Cyano-1-oxo-3-phenyl-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide | CHEMBL176540
Type:
Small organic molecule
Emp. Form.:
C26H21F3N4O3
Mol. Mass.:
494.4651
SMILES:
CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C#N)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: