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Literature summary for 3.4.24.83 extracted from

  • Chiu, T.L.; Solberg, J.; Patil, S.; Geders, T.W.; Zhang, X.; Rangarajan, S.; Francis, R.; Finzel, B.C.; Walters, M.A.; Hook, D.J.; Amin, E.A.
    Identification of novel non-hydroxamate anthrax toxin lethal factor inhibitors by topomeric searching, docking and scoring, and in vitro screening (2009), J. Chem. Inf. Model., 49, 2726-2734.
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
(2R)-N4-hydroxy-N1-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide inhibitor identified by in silico high-throughput virtual screening protocol Bacillus anthracis
(3S)-N-hydroxy-4-methyl-3-([[(2R)-1-(methylamino)-1-oxo-4-phenylbutan-2-yl]amino]methyl)pentanamide inhibitor identified by in silico high-throughput virtual screening protocol Bacillus anthracis
2-([benzyl(ethyl)amino]methyl)-6-iodo-4-methylphenol inhibitor identified by in silico high-throughput virtual screening protocol Bacillus anthracis
additional information micromolar-level anthrax lethal factor inhibition can be attained by compounds with non-hydroxamate zinc-binding groups that exhibit monodentate zinc chelation as long as key hydrophobic interactions with at least two anthrax lethal factor subsites are retained Bacillus anthracis

Organism

Organism UniProt Comment Textmining
Bacillus anthracis
-
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0071
-
pH 8.0, 37°C Bacillus anthracis (3S)-N-hydroxy-4-methyl-3-([[(2R)-1-(methylamino)-1-oxo-4-phenylbutan-2-yl]amino]methyl)pentanamide
0.0102
-
pH 8.0, 37°C Bacillus anthracis (2R)-N4-hydroxy-N1-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
0.0495
-
pH 8.0, 37°C Bacillus anthracis 2-([benzyl(ethyl)amino]methyl)-6-iodo-4-methylphenol