Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50286330
Substrate
n/a
Meas. Tech.
ChEMBL_63831 (CHEMBL878397)
Ki
2±n/a nM
Citation
 Hlasta, DJ; Court, JJ; Desai, RC; Talomie, TG; Shen, J; Dunlap, RP; and, CA; Mura, AJ A comparative SAR and computer modeling study of benzisothiazolone, mechanism-based inhibitors with porcine pancreatic and human leukocyte elastase Bioorg Med Chem Lett 6:2941-2946 (1996)    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:
BDBM50286330
Synonyms:
4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one | CHEMBL100620
Type:
Small organic molecule
Emp. Form.:
C17H15N5O5S2
Mol. Mass.:
433.462
SMILES:
COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Structure:
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