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 |
|---|---|---|---|---|---|
| 5YL2 | Download | Experimental | e5yl2A1 e5yl2A2 e5yl2B1 e5yl2B2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7CNM | Download | Experimental | e7cnmC2 | Bacillus chorismate mutase-like | LigPlot |
| 7CEK | Download | Experimental | e7cekA1 e7cekB1 e7cekB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7CLD | Download | Experimental | e7cldA2 e7cldB1 e7cldB2 e7cldE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 7EN3 | Download | Experimental | e7en3C1 | 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 |
| 5H7O | Download | Experimental | e5h7oA2 e5h7oB1 e5h7oB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5XIW | Download | Experimental | e5xiwA1 e5xiwB1 e5xiwB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5XP3 | Download | Experimental | e5xp3A1 e5xp3A2 e5xp3B1 e5xp3B2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7CE8 | Download | Experimental | e7ce8A1 e7ce8A2 e7ce8B1 e7ce8B2 e7ce8E1 e7ce8C1 e7ce8D1 e7ce8D2 e7ce8E1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 4ZOL | Download | Experimental | e4zolA2 e4zolB1 e4zolB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5YLJ | Download | Experimental | e5yljA1 e5yljB1 e5yljB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7CBZ | Download | Experimental | e7cbzA2 e7cbzB1 e7cbzB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6BRY | Download | Experimental | e6bryC1 | Bacillus chorismate mutase-like | LigPlot |
| 5XKG | Download | Experimental | e5xkgA1 e5xkgA2 e5xkgB1 e5xkgB2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5JCB | Download | Experimental | e5jcbA2 e5jcbB1 e5jcbB2 | 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 |
| 7CE6 | Download | Experimental | e7ce6A1 e7ce6A2 e7ce6B1 e7ce6B2 | Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7DBC | Download | Experimental | e7dbcA1 e7dbcA2 e7dbcB1 e7dbcB2 | Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5XKE | Download | Experimental | e5xkeA2 e5xkeB1 e5xkeB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7EXC | Download | Experimental | e7excA1 e7excA2 e7excB1 e7excB2 | Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5CA0 | Download | Experimental | e5ca0A1 e5ca0A2 e5ca0B1 e5ca0B2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6Y4N | Download | Experimental | e6y4nA1 e6y4nB1 e6y4nB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6BS2 | Download | Experimental | e6bs2C1 | Bacillus chorismate mutase-like | LigPlot |
| 5XKH | Download | Experimental | e5xkhA1 e5xkhA2 e5xkhB1 e5xkhB2 | Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7L05 | Download | Experimental | e7l05A2 e7l05B1 e7l05B2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5XKF | Download | Experimental | e5xkfA2 e5xkfB1 e5xkfB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5H74 | Download | Experimental | e5h74C1 | Bacillus chorismate mutase-like | LigPlot |
| 7CDA | Download | Experimental | e7cdaA2 e7cdaB1 e7cdaB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7DP8 | Download | Experimental | e7dp8A1 e7dp8A2 e7dp8B1 e7dp8B2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5YLS | Download | Experimental | e5ylsA2 e5ylsB1 e5ylsB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7YHN | Download | Experimental | e7yhnA2 e7yhnB1 e7yhnB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |