Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50036058
Substrate
n/a
Meas. Tech.
ChEMBL_63997 (CHEMBL673106)
Ki
1.6±n/a nM
Citation
 Edwards, PD; Andisik, DW; Bryant, CA; Ewing, B; Gomes, B; Lewis, JJ; Rakiewicz, D; Steelman, G; Strimpler, A; Trainor, DA; Tuthill, PA; Mauger, RC; Veale, CA; Wildonger, RA; Williams, JC; Wolanin, DJ; Zottola, M Discovery and biological activity of orally active peptidyl trifluoromethyl ketone inhibitors of human neutrophil elastase. J Med Chem 40:1876-85 (1997) [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:
BDBM50036058
Synonyms:
CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C24H32F3N3O5
Mol. Mass.:
499.5232
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: