Reaction Details Report a problem with these data
Target
Elastase
Ligand
BDBM50311217
Substrate
n/a
Meas. Tech.
ChEMBL_619859 (CHEMBL1107602)
pH
7.2±n/a
Ki
10000±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:
BDBM50311217
Synonyms:
(S)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-3-methylbutanamide | CHEMBL1078381
Type:
Small organic molecule
Emp. Form.:
C12H23N3O3S
Mol. Mass.:
289.394
SMILES:
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CS)C(C)C)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: