Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50029714
Substrate
n/a
Meas. Tech.
ChEMBL_64004 (CHEMBL672345)
Ki
0.25±n/a nM
Citation
Hlasta, DJ; Ackerman, JH; Court, JJ; Farrell, RP; Johnson, JA; Kofron, JL; Robinson, DT; Talomie, TG; Dunlap, RP; Franke, CA A novel class of cyclic beta-dicarbonyl leaving groups and their use in the design of benzisothiazolone human leukocyte elastase inhibitors. J Med Chem 38:4687-92 (1995) [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:
BDBM50029714
Synonyms:
2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethoxy)-3-methyl-pyrido[1,2-a]pyrimidin-4-one | CHEMBL356962
Type:
Small organic molecule
Emp. Form.:
C21H21N3O6S
Mol. Mass.:
443.473
SMILES:
COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3C)S2(=O)=O)c(c1)C(C)C