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Target
Neutrophil elastase
Ligand
BDBM50260046
Substrate
n/a
Meas. Tech.
ChEMBL_1805881 (CHEMBL4305240)
IC50
47600±n/a nM
Citation
 Morla, S; Sankaranarayanan, NV; Afosah, DK; Kumar, M; Kummarapurugu, AB; Voynow, JA; Desai, UR On the Process of Discovering Leads That Target the Heparin-Binding Site of Neutrophil Elastase in the Sputum of Cystic Fibrosis Patients. J Med Chem 62:5501-5511 (2019) [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:
BDBM50260046
Synonyms:
CHEMBL4060852
Type:
Small organic molecule
Emp. Form.:
C34H20Na4O22S4
Mol. Mass.:
1000.728
SMILES:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC\C=C\COc3cc(OS([O-])(=O)=O)cc4oc(cc(=O)c34)-c3ccc(OS([O-])(=O)=O)cc3)cc(OS([O-])(=O)=O)cc2o1
Structure:
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