Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50051160
Substrate/Competitorn/a
Meas. Tech.ChEMBL_63975 (CHEMBL677601)
Ki 5.7±n/a nM
Citation Edwards, PDAndisik, DWStrimpler, AMGomes, BTuthill, PA Nonpeptidic inhibitors of human neutrophil elastase. 7. Design, synthesis, and in vitro activity of a series of pyridopyrimidine trifluoromethyl ketones. J Med Chem39:1112-24 (1996) [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:
BDBM50051160
n/a
NameBDBM50051160
Synonyms:2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide | CHEMBL14121
TypeSmall organic molecule
Emp. Form.C29H27F3N4O6
Mol. Mass.584.5431
SMILESCOc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: