Reaction Details Report a problem with these data
Target
Elastase
Ligand
BDBM50138798
Substrate
n/a
Meas. Tech.
ChEMBL_1550089 (CHEMBL3756035)
IC50
3300±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:
BDBM50138798
Synonyms:
CHEMBL3754100
Type:
Small organic molecule
Emp. Form.:
C9H13BrN2O5S2
Mol. Mass.:
373.244
SMILES:
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1
Structure:
Search PDB for entries with ligand similarity: