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Target
Neutrophil elastase
Ligand
BDBM50065162
Substrate
n/a
Meas. Tech.
ChEMBL_63976 (CHEMBL677602)
Ki
1100±n/a nM
Citation
 Cregge, RJ; Durham, SL; Farr, RA; Gallion, SL; Hare, CM; Hoffman, RV; Janusz, MJ; Kim, HO; Koehl, JR; Mehdi, S; Metz, WA; Peet, NP; Pelton, JT; Schreuder, HA; Sunder, S; Tardif, C Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones. J Med Chem 41:2461-80 (1998) [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:
BDBM50065162
Synonyms:
(S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid ((R)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide | CHEMBL433142
Type:
Small organic molecule
Emp. Form.:
C30H39F5N4O6
Mol. Mass.:
646.6459
SMILES:
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Structure:
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