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Target
Elastase
Ligand
BDBM50311227
Substrate
n/a
Meas. Tech.
ChEMBL_619859 (CHEMBL1107602)
pH
7.2±n/a
Ki
14000±n/a nM
Comments
extracted
Citation
 Cathcart, GR; Gilmore, BF; Greer, B; Harriott, P; Walker, B Inhibitor profiling of the Pseudomonas aeruginosa virulence factor LasB using N-alpha mercaptoamide template-based inhibitors. Bioorg Med Chem Lett 19:6230-2 (2009) [PubMed]  Article 
Target
Name:
Elastase
Synonyms:
ELAS_PSEAE | Pseudolysin | lasB
Type:
PROTEIN
Mol. Mass.:
53687.94
Organism:
Pseudomonas aeruginosa
Description:
ChEMBL_619859
Residue:
498
Sequence:
MKKVSTLDLLFVAIMGVSPAAFAADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL
  
Inhibitor
Name:
BDBM50311227
Synonyms:
(S)-N-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)-2-(2-mercaptoacetamido)propanamide | CHEMBL1078035
Type:
Small organic molecule
Emp. Form.:
C22H24N4O4S
Mol. Mass.:
440.515
SMILES:
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS |r|
Structure:
Search PDB for entries with ligand similarity: