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Target
Chymotrypsinogen A
Ligand
BDBM50066999
Substrate
n/a
Meas. Tech.
ChEMBL_49929 (CHEMBL660312)
IC50
980.0±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:
BDBM50066999
Synonyms:
(S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbonyl)-phenoxy]-4-oxo-azetidine-1-carboxylic acid ((R)-1-benzo[1,3]dioxol-5-yl-butyl)-amide | (S)-N-((R)-1-(benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(1-methylpiperazine-4-carbonyl)phenoxy)-4-oxoazetidine-1-carboxamide | CHEMBL310871 | L-694458
Type:
Small organic molecule
Emp. Form.:
C31H40N4O6
Mol. Mass.:
564.6725
SMILES:
CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r|
Structure:
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