Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50061027
Substrate
n/a
Meas. Tech.
ChEMBL_63839 (CHEMBL674889)
Ki
1.1±n/a nM
Citation
 Veale, CA; Bernstein, PR; Bohnert, CM; Brown, FJ; Bryant, C; Damewood, JR; Earley, R; Feeney, SW; Edwards, PD; Gomes, B; Hulsizer, JM; Kosmider, BJ; Krell, RD; Moore, G; Salcedo, TW; Shaw, A; Silberstein, DS; Steelman, GB; Stein, M; Strimpler, A; Thomas, RM; Vacek, EP; Williams, JC; Wolanin, DJ; Woolson, S Orally active trifluoromethyl ketone inhibitors of human leukocyte elastase. J Med Chem 40:3173-81 (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:
BDBM50061027
Synonyms:
((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-5-methyl-3-oxo-hexyl)-carbamic acid butyl ester | CHEMBL110685
Type:
Small organic molecule
Emp. Form.:
C30H44F2N4O7
Mol. Mass.:
610.6898
SMILES:
CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Structure:
Search PDB for entries with ligand similarity: