EC Number   |
Inhibitors |
Structure |
|---|
   2.3.1.122 | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl ethyl butylphosphonate |
IC50: 0.010 mM |
   |
| 2.3.1.122 | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl ethyl tetradecylphosphonate |
IC50: 0.0410 mM |
|
| 2.3.1.122 | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl ethyl heptylphosphonate |
IC50: 0.0013 mM |
|
| 2.3.1.122 | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl ethyl nonylphosphonate |
IC50: 0.0871 mM |
|
| 2.3.1.122 | (2S)-N-hydroxy-1-[4-(1,1'-biphenyl)-3,6-dihydropyridine-1(2H)-sulfonyl]piperidine-2-carboxamide |
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic |
|
| 2.3.1.122 | 1-(3-phenoxy)benzyl 1-octanesulfonate |
IC50: 0.0043 mM |
|
| 2.3.1.122 | 1-[(2S)-2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-pyrimidin-2-yloxyethanone |
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic |
|
| 2.3.1.122 | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl ethyl butylphosphonate |
IC50: 0.0507 mM |
|
| 2.3.1.122 | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl ethyl nonylphosphonate |
IC50: 0.0257 mM |
|
| 2.3.1.122 | 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
i.e. I3-AG85, enzyme inhibition leads to accumulation of trehalose monomycolate and disruption of the bacterial envelope, I3-AG85 also inhibits Mycobacterium tuberculosis survival in infected primary macrophages. Binding of I3-AG85 to Ag85C is similar to its binding to the artificial substrate octylthioglucoside, overview |
|
