Reaction Details Report a problem with these data
Target
Elastase
Ligand
BDBM50311148
Substrate
n/a
Meas. Tech.
ChEMBL_619859 (CHEMBL1107602)
pH
7.2±n/a
Ki
8500±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:
BDBM50311148
Synonyms:
(S)-6-amino-2-((S)-3-(4-hydroxyphenyl)-2-(2-mercaptoacetamido)propanamido)hexanamide | CHEMBL1079283
Type:
Small organic molecule
Emp. Form.:
C17H26N4O4S
Mol. Mass.:
382.478
SMILES:
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: