Target
Neutrophil elastase
Ligand
BDBM50095519
Substrate
n/a
Meas. Tech.
ChEMBL_63965 (CHEMBL677434)
Ki
1.18±n/a nM
Citation
 Ohmoto, KYamamoto, TOkuma, MHoriuchi, TImanishi, HOdagaki, YKawabata, KSekioka, THirota, YMatsuoka, SNakai, HToda, MCheronis, JCSpruce, LWGyorkos, AWieczorek, M Development of orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem 44:1268-85 (2001) [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:
BDBM50095519
Synonyms:
(S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{1-[5-(1-benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-2-methyl-propyl}-acetamide with 0.5 moles of H20 | 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{1-[5-(1-benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-2-methyl-propyl}-acetamide | CHEMBL279941
Type:
Small organic molecule
Emp. Form.:
C29H29FN6O6
Mol. Mass.:
576.5756
SMILES:
CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccc2OCOc2c1
Structure:
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