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Target
Chymotrypsinogen A
Ligand
BDBM50118028
Substrate
n/a
Meas. Tech.
ChEMBL_49927 (CHEMBL664296)
IC50
3000±n/a nM
Citation
 Macdonald, SJ; Dowle, MD; Harrison, LA; Clarke, GD; Inglis, GG; Johnson, MR; Shah, P; Smith, RA; Amour, A; Fleetwood, G; Humphreys, DC; Molloy, CR; Dixon, M; Godward, RE; Wonacott, AJ; Singh, OM; Hodgson, ST; Hardy, GW Discovery of further pyrrolidine trans-lactams as inhibitors of human neutrophil elastase (HNE) with potential as development candidates and the crystal structure of HNE complexed with an inhibitor (GW475151). J Med Chem 45:3878-90 (2002) [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:
BDBM50118028
Synonyms:
3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-ylmethyl-oxazole-4-carbonyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride | CHEMBL542949
Type:
Small organic molecule
Emp. Form.:
C19H28N4O5S
Mol. Mass.:
424.514
SMILES:
CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Structure:
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