Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50375784
Substrate/Competitorn/a
Meas. Tech.ChEMBL_474223 (CHEMBL939100)
IC50 540±n/a nM
Citation Steinbrecher, THrenn, ADormann, KLMerfort, ILabahn, A Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations. Bioorg Med Chem16:2385-90 (2008) [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:
BDBM50375784
n/a
NameBDBM50375784
Synonyms:CHEMBL408621
TypeSmall organic molecule
Emp. Form.C19H24O5
Mol. Mass.332.3909
SMILESCC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1cc(O)c(O)c(O)c1 |w:8.11,3.10,TEB:10:8:1:4.5|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: