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Target
Neutrophil elastase
Ligand
BDBM50375784
Substrate
n/a
Meas. Tech.
ChEMBL_474223 (CHEMBL939100)
IC50
540±n/a nM
Citation
 Steinbrecher, T; Hrenn, A; Dormann, KL; Merfort, I; Labahn, A Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations. Bioorg Med Chem 16:2385-90 (2008) [PubMed]  Article 
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:
BDBM50375784
Synonyms:
CHEMBL408621
Type:
Small organic molecule
Emp. Form.:
C19H24O5
Mol. Mass.:
332.3909
SMILES:
CC1(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:
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