Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50005164
Substrate/Competitorn/a
Meas. Tech.ChEBML_63659
IC50 84±n/a nM
Citation Skiles, JWFuchs, VMiao, CSorcek, RGrozinger, KGMauldin, SCVitous, JMui, PWJacober, SChow, G Inhibition of human leukocyte elastase (HLE) by N-substituted peptidyl trifluoromethyl ketones. J Med Chem35:641-62 (1992) [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:
BDBM50005164
n/a
NameBDBM50005164
Synonyms:4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2-(3,4-dimethoxy-phenyl)-ethyl]-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-benzamide | CHEMBL346534
TypeSmall organic molecule
Emp. Form.C37H42ClF3N4O9S
Mol. Mass.811.264
SMILESCOc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: