Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50066996
Substrate
n/a
Meas. Tech.
ChEMBL_49929 (CHEMBL660312)
IC50
4860.0±n/a nM
Citation
 Macdonald, SJ; Belton, DJ; Buckley, DM; Spooner, JE; Anson, MS; Harrison, LA; Mills, K; Upton, RJ; Dowle, MD; Smith, RA; Molloy, CR; Risley, C Syntheses of trans-5-oxo-hexahydro-pyrrolo[3,2-b]pyrroles and trans-5-oxo-hexahydro-furo[3,2-b]pyrroles (pyrrolidine trans-lactams and trans-lactones): new pharmacophores for elastase inhibition. J Med Chem 41:3919-22 (1998) [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:
BDBM50066996
Synonyms:
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester | CHEMBL125796
Type:
Small organic molecule
Emp. Form.:
C17H19NO4
Mol. Mass.:
301.3371
SMILES:
C=CC[C@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Structure:
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