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Target
Neutrophil elastase
Ligand
BDBM50095525
Substrate
n/a
Meas. Tech.
ChEMBL_63965 (CHEMBL677434)
Ki
1.37±n/a nM
Citation
 Ohmoto, K; Yamamoto, T; Okuma, M; Horiuchi, T; Imanishi, H; Odagaki, Y; Kawabata, K; Sekioka, T; Hirota, Y; Matsuoka, S; Nakai, H; Toda, M; Cheronis, JC; Spruce, LW; Gyorkos, A; Wieczorek, 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:
BDBM50095525
Synonyms:
(S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(3-methyl-1-oxo-1-(5-(2-m-tolylpropan-2-yl)-1,3,4-oxadiazol-2-yl)butan-2-yl)acetamide | (S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-m-tolyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide with 0.5 moles of H20 | 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-m-tolyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide | CHEMBL278134
Type:
Small organic molecule
Emp. Form.:
C29H31FN6O4
Mol. Mass.:
546.5926
SMILES:
CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1cccc(C)c1
Structure:
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