Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50058374
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:
BDBM50058374
Synonyms:
1-((S)-3-Methyl-2-pentafluorobenzenesulfonylamino-butyryl)-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide | CHEMBL301691
Type:
Small organic molecule
Emp. Form.:
C22H25F8N3O5S
Mol. Mass.:
595.503
SMILES:
CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: