PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL:
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Oxazinanes
- Subclass: Morpholines
- Class: Oxazinanes
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 5BMV | Download | Experimental | e5bmvB1 | Bacillus chorismate mutase-like | LigPlot |
| 4ZI7 | Download | Experimental | e4zi7B2 | Bacillus chorismate mutase-like | LigPlot |
| 5FNV | Download | Experimental | e5fnvB2 | Bacillus chorismate mutase-like | LigPlot |
| 7EMJ | Download | Experimental | e7emjA2 e7emjB1 e7emjB2 e7emjE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 6LS4 | Download | Experimental | e6ls4A1 e6ls4B1 e6ls4B2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 4ZOL | Download | Experimental | e4zolA2 e4zolB1 e4zolB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7CBZ | Download | Experimental | e7cbzA2 e7cbzB1 e7cbzB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6Y4M | Download | Experimental | e6y4mB1 e6y4mB2 e6y4mA2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 4ZHQ | Download | Experimental | e4zhqB1 | Bacillus chorismate mutase-like | LigPlot |
| 7EXC | Download | Experimental | e7excA1 e7excA2 e7excB1 e7excB2 | Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6Y4N | Download | Experimental | e6y4nA1 e6y4nB1 e6y4nB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7L05 | Download | Experimental | e7l05A2 e7l05B1 e7l05B2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5JQG | Download | Experimental | e5jqgB2 | Bacillus chorismate mutase-like | LigPlot |
| 7YHN | Download | Experimental | e7yhnA2 e7yhnB1 e7yhnB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |