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 | UniProt | Comment | Textmining |
---|---|---|---|
Bacillus anthracis | - |
- |
- |
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 |