Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50039635
Substrate
n/a
Meas. Tech.
ChEMBL_63980 (CHEMBL677606)
Ki
0.007±n/a nM
Citation
 Subramanyam, C; Bell, MR; Carabateas, P; Court, JJ; Dority, JA; Ferguson, E; Gordon, R; Hlasta, DJ; Kumar, V; Saindane, M 2,6-Disubstituted aryl carboxylic acids, leaving groups"par excellence" for benzisothiazolone inhibitors of human leukocyte elastase. J Med Chem 37:2623-6 (1994) [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:
BDBM50039635
Synonyms:
2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-benzoic acid 4-isopropyl-1,1,3-trioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thiophen-2-ylmethyl ester; hydrochloride | CHEMBL553298
Type:
Small organic molecule
Emp. Form.:
C24H26Cl2N2O7S2
Mol. Mass.:
589.508
SMILES:
CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Structure:
Search PDB for entries with ligand similarity: