Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50118029
Substrate/Competitorn/a
Meas. Tech.ChEMBL_64138 (CHEMBL675302)
Ki 0.31±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
 
Neutrophil elastase
Name:Neutrophil elastase
Synonyms:Bone marrow serine protease | Chymotrypsin | Coagulation factor X | ELA2 | ELANE | ELNE_HUMAN | Elastase | Elastase-2 | HLE | Human leukocyte elastase | Leukocyte elastase | Leukocyte elastase (HLE) | Medullasin | Neutrophil elastase | Neutrophil elastase (HNE) | Neutrophil elastase (NE) | PMN elastase | Thrombin | Trypsin
Type:Enzyme
Mol. Mass.:28532.38
Organism:Homo sapiens (Human)
Description:P08246
Residue:267
Sequence:
MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLI
APNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVI
LQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSL
CRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVN
WIDSIIQRSEDNPCPHPRDPDPASRTH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50118029
n/a
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: