From: Antibacterial mechanisms identified through structural systems pharmacology
Screen | Ligand ID | Target name | SMAP prediction (significant) | Antibacterial simulation | Functional site overlap |
---|---|---|---|---|---|
Negative control | BGC | - | - | - | - |
Positive control: PEP analogue | FCN | BtuC | × | × | - |
Positive control: sulfonamide | YTZ | FolP | × | × | - |
Positve control: trimethoprim | TOP | RibD | × | × | × |
Positve control: trimethoprim | TOP | IspU | × | × | × |
Positve control: trimethoprim | TOP | EntA | × | × | × |
Positve control: trimethoprim | TOP | FabG | × | × | × |
Positve control: trimethoprim | TOP | KdtA | × | × | - |
Positve control: trimethoprim | TOP | MurJ | × | × | - |
Positve control: trimethoprim | TOP | WaaB | × | × | - |
Positve control: trimethoprim | TOP | MenH | × | × | - |
Positve control: trimethoprim | TOP | WaaQ | × | × | - |
Positve control: trimethoprim | TOP | MoeA | × | × | - |
Positve control: trimethoprim | TOP | TyrA | × | × | - |
Positve control: chlorophenol | H3P | - | - | - | - |
Antibacterials of unknown mechanism | 028 | IspA | × | × | × |
Antibacterials of unknown mechanism | 028 | IspB | × | × | × |
Antibacterials of unknown mechanism | 4AZ | - | - | - | - |
Antibacterials of unknown mechanism | 2OB | PheA | × | × | × |
Antibacterials of unknown mechanism | 2OB | AcpP | × | × | × |
Antibacterials of unknown mechanism | 2OB | EntA | × | × | × |
Antibacterials of unknown mechanism | 2OB | AtpB | × | × | × |
Antibacterials of unknown mechanism | 2OB | CyoB | × | × | × |
Antibacterials of unknown mechanism | 2OB | Cytochrome bo terminal oxidase | × | × | × |
Antibacterials of unknown mechanism | 2OB | Succinate dehydrogenase | × | × | × |
Antibacterials of unknown mechanism | 2OB | MurJ | × | × | - |
Antibacterials of unknown mechanism | 2OB | ProC | × | × | - |
Antibacterials of unknown mechanism | 2OB | ArgA | × | × | - |
Antibacterials of unknown mechanism | 2OB | IspU | × | × | - |
Antibacterials of unknown mechanism | 2OB | NuoB | × | × | - |
Antibacterials of unknown mechanism | 2OB | CyoC | × | × | - |
Antibacterials of unknown mechanism | 2OB | GdhA | × | × | - |
Antibacterials of unknown mechanism | 2OB | PpK | × | × | - |
Antibacterials of unknown mechanism | 2OB | FadE | × | × | - |
Novel target: TrpB | F6F | TrpB | × | × | × |
Novel target: TrpB | PLT | TrpB | × | × | × |
Novel target: TrpB | 7MN | TrpB | × | × | × |
Novel target: TrpB | IDM | TrpB | × | × | × |
Novel target: TrpB | PLS | TrpB | × | × | × |
Novel target: PdxB | - | PdxB | - | × | - |
Novel target: PyrE | - | PyrE | - | × | - |