Reaction Details Report a problem with these data
Target
Elastase
Ligand
BDBM50485657
Substrate
n/a
Meas. Tech.
ChEMBL_2296493
IC50
3000±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:
BDBM50485657
Synonyms:
CHEMBL2146996
Type:
Small organic molecule
Emp. Form.:
C19H17NOS
Mol. Mass.:
307.409
SMILES:
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: