Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50065160
Substrate/Competitorn/a
Meas. Tech.ChEMBL_63976 (CHEMBL677602)
Ki 95000±n/a nM
Citation Cregge, RJDurham, SLFarr, RAGallion, SLHare, CMHoffman, RVJanusz, MJKim, HOKoehl, JRMehdi, SMetz, WAPeet, NPPelton, JTSchreuder, HASunder, STardif, C Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones. J Med Chem41:2461-80 (1998) [PubMed]  Article
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:
BDBM50065160
n/a
NameBDBM50065160
Synonyms:4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-methyl]-piperidin-3-yl}-benzamide | CHEMBL309326
TypeSmall organic molecule
Emp. Form.C26H31F5N4O6
Mol. Mass.590.5396
SMILESCC(C)C(NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(cc2)C(=O)N2CCOCC2)C1=O)C(=O)C(F)(F)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: