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 |
|---|---|---|---|---|---|
| 6LSN | Download | Experimental | e6lsnB1 | Bacillus chorismate mutase-like | LigPlot |
| 6D88 | Download | Experimental | e6d88B1 | Bacillus chorismate mutase-like | LigPlot |
| 7DBB | Download | Experimental | e7dbbB2 | Bacillus chorismate mutase-like | LigPlot |
| 5YL2 | Download | Experimental | e5yl2A1 e5yl2A2 e5yl2B1 e5yl2B2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6LSM | Download | Experimental | e6lsmB2 | Bacillus chorismate mutase-like | LigPlot |
| 7XQY | Download | Experimental | e7xqyB1 | Bacillus chorismate mutase-like | LigPlot |
| 7CNM | Download | Experimental | e7cnmB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DBD | Download | Experimental | e7dbdB2 | Bacillus chorismate mutase-like | LigPlot |
| 6X1E | Download | Experimental | e6x1eB2 | Bacillus chorismate mutase-like | LigPlot |
| 7CEK | Download | Experimental | e7cekA1 e7cekB1 e7cekB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6O5N | Download | Experimental | e6o5nB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DAF | Download | Experimental | e7dafB1 | Bacillus chorismate mutase-like | LigPlot |
| 7CLD | Download | Experimental | e7cldA2 e7cldB1 e7cldB2 e7cldE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 5XIW | Download | Experimental | e5xiwA1 e5xiwB1 e5xiwB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-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 |
| 6PC4 | Download | Experimental | e6pc4B2 | Bacillus chorismate mutase-like | LigPlot |
| 7LZ8 | Download | Experimental | e7lz8B2 | Bacillus chorismate mutase-like | LigPlot |
| 5YLJ | Download | Experimental | e5yljA1 e5yljB1 e5yljB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7CNN | Download | Experimental | e7cnnB2 | Bacillus chorismate mutase-like | LigPlot |
| 6BR1 | Download | Experimental | e6br1B2 | Bacillus chorismate mutase-like | LigPlot |
| 6BRY | Download | Experimental | e6bryB2 | 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 |
| 7XR0 | Download | Experimental | e7xr0B1 | 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 |
| 6KPP | Download | Experimental | e6kppB2 | 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 |
| 6O61 | Download | Experimental | e6o61B2 | Bacillus chorismate mutase-like | LigPlot |
| 6X1F | Download | Experimental | e6x1fB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DAE | Download | Experimental | e7daeB1 | Bacillus chorismate mutase-like | LigPlot |
| 7XR1 | Download | Experimental | e7xr1B1 | Bacillus chorismate mutase-like | LigPlot |
| 7XQX | Download | Experimental | e7xqxB2 | Bacillus chorismate mutase-like | LigPlot |
| 6X1C | Download | Experimental | e6x1cB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DBA | Download | Experimental | e7dbaB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DB9 | Download | Experimental | e7db9B2 | Bacillus chorismate mutase-like | LigPlot |
| 6BS2 | Download | Experimental | e6bs2B1 | Bacillus chorismate mutase-like | LigPlot |
| 8DIQ | Download | Experimental | e8diqB1 | Bacillus chorismate mutase-like | LigPlot |
| 5XKF | Download | Experimental | e5xkfA2 e5xkfB1 e5xkfB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6NNG | Download | Experimental | e6nngB2 | Bacillus chorismate mutase-like | LigPlot |
| 7DAD | Download | Experimental | e7dadB2 | 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 |
| 7CNO | Download | Experimental | e7cnoB2 | Bacillus chorismate mutase-like | LigPlot |
| 6O5M | Download | Experimental | e6o5mB2 | Bacillus chorismate mutase-like | LigPlot |
| 6BRF | Download | Experimental | e6brfB1 | Bacillus chorismate mutase-like | LigPlot |
| 7LZ7 | Download | Experimental | e7lz7B2 | Bacillus chorismate mutase-like | LigPlot |