Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50061028
Substrate
n/a
Meas. Tech.
ChEMBL_63839 (CHEMBL674889)
Ki
0.35±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
More Info.:
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:
BDBM50061028
Synonyms:
(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid ((S)-4-benzylamino-3,3-difluoro-1-isopropyl-2-oxo-butyl)-amide | CHEMBL110443 | CHEMBL432539
Type:
Small organic molecule
Emp. Form.:
C32H42F2N4O5
Mol. Mass.:
600.6965
SMILES:
COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1