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Target
Elastase
Ligand
BDBM50311156
Substrate
n/a
Meas. Tech.
ChEMBL_619859 (CHEMBL1107602)
pH
7.2±n/a
Ki
125000±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:
BDBM50311156
Synonyms:
(S)-N-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-5-guanidino-2-(2-mercaptoacetamido)pentanamide | CHEMBL1078967
Type:
Small organic molecule
Emp. Form.:
C19H27N7O3S
Mol. Mass.:
433.528
SMILES:
NC(N)=NCCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:7.7,wD:16.15,(-1.26,-7.05,;-2.59,-7.82,;-3.93,-7.05,;-2.59,-9.36,;-3.93,-10.13,;-3.93,-11.67,;-5.26,-12.44,;-5.26,-13.98,;-6.6,-14.75,;-7.93,-13.98,;-7.93,-12.44,;-9.26,-14.75,;-10.6,-13.98,;-3.93,-14.75,;-3.93,-16.29,;-2.59,-13.98,;-1.26,-14.75,;-1.26,-16.29,;.07,-17.06,;.24,-18.6,;1.75,-18.92,;2.51,-17.59,;4.01,-17.27,;4.49,-15.81,;3.45,-14.67,;1.96,-14.99,;1.49,-16.44,;.07,-13.98,;1.41,-14.75,;.07,-12.44,)|
Structure:
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