Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAlpha-chymotrypsin
LigandBDBM50118029
Substrate/Competitorn/a
Meas. Tech.ChEMBL_49927
IC50 4200±n/a nM
Citation Macdonald, SJDowle, MDHarrison, LAClarke, GDInglis, GGJohnson, MRShah, PSmith, RAAmour, AFleetwood, GHumphreys, DCMolloy, CRDixon, MGodward, REWonacott, AJSingh, OMHodgson, STHardy, 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 Chem45:3878-90 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Alpha-chymotrypsin
Name:Alpha-chymotrypsin
Synonyms: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:
CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGV
TTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSA
VCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAM
ICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQ
TLAAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50118029
NameBDBM50118029
Synonyms:3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-but-2-enoyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride | CHEMBL2368616
TypeSmall organic molecule
Emp. Form.C19H32ClN3O4S
Mol. Mass.433.993
SMILESCl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a