Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50118028
Substrate
n/a
Meas. Tech.
ChEMBL_64138 (CHEMBL675302)
Ki
0.16±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
More Info.:
Target
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:
MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH
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