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Target
Elastase
Ligand
BDBM50138799
Substrate
n/a
Meas. Tech.
ChEMBL_1550089 (CHEMBL3756035)
IC50
51000±n/a nM
Citation
 Sjøli, S; Nuti, E; Camodeca, C; Bilto, I; Rossello, A; Winberg, JO; Sylte, I; Adekoya, OA Synthesis, experimental evaluation and molecular modelling of hydroxamate derivatives as zinc metalloproteinase inhibitors. Eur J Med Chem 108:141-53 (2016) [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:
BDBM50138799
Synonyms:
CHEMBL3752513
Type:
Small organic molecule
Emp. Form.:
C19H26N2O6S
Mol. Mass.:
410.485
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
Structure:
Search PDB for entries with ligand similarity: