Reaction Details Report a problem with these data
Target
Elastase
Ligand
BDBM50614323
Substrate
n/a
Meas. Tech.
ChEMBL_2296494
IC50
6000±n/a nM
Citation
 Wagner, S; Sommer, R; Hinsberger, S; Lu, C; Hartmann, RW; Empting, M; Titz, A Novel Strategies for the Treatment of Pseudomonas aeruginosa Infections. J Med Chem 59:5929-69 (2016) [PubMed] 
Target
Name:
Elastase
Synonyms:
ELAS_PSEAE | Pseudolysin | lasB
Type:
PROTEIN
Mol. Mass.:
53687.94
Organism:
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)
Description:
ChEMBL_619859
Residue:
498
Sequence:
MKKVSTLDLLFVAIMGVSPAAFAADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL
  
Inhibitor
Name:
BDBM50614323
Synonyms:
CHEMBL4754924
Type:
Small organic molecule
Emp. Form.:
C20H23N3O4S
Mol. Mass.:
401.479
SMILES:
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS |r|
Structure:
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