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 |
|---|---|---|---|---|---|
| 5MF4 | Download | Experimental | e5mf4C2 e5mf4D1 e5mf4D2 e5mf4E1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 5YZ3 | Download | Experimental | e5yz3E1 e5yz3A1 e5yz3A2 e5yz3B1 e5yz3B2 | Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6F7C | Download | Experimental | e6f7cA1 e6f7cA2 e6f7cB1 e6f7cB2 e6f7cE1 | Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 5M8G | Download | Experimental | e5m8gC1 e5m8gD1 e5m8gD2 e5m8gE1 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7CLD | Download | Experimental | e7cldA2 e7cldB1 e7cldB2 e7cldE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 5CA1 | Download | Experimental | e5ca1D1 e5ca1D2 e5ca1E1 | Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7EMJ | Download | Experimental | e7emjA2 e7emjB1 e7emjB2 e7emjE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 5J2T | Download | Experimental | e5j2tA2 e5j2tB1 e5j2tB2 e5j2tE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | 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 |
| 4I4T | Download | Experimental | e4i4tE2 e4i4tB3 e4i4tB4 e4i4tA3 e4i4tA4 | Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 4I50 | Download | Experimental | e4i50E2 e4i50B3 e4i50B4 e4i50A3 e4i50A4 e4i50E2 e4i50D3 e4i50D4 e4i50C3 e4i50C4 | Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7E4Z | Download | Experimental | e7e4zA1 e7e4zA2 e7e4zB1 e7e4zB2 e7e4zE1 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 6GF3 | Download | Experimental | e6gf3C2 e6gf3D1 e6gf3D2 e6gf3E1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Stathmin | LigPlot |
| 6K9V | Download | Experimental | e6k9vA1 e6k9vA2 e6k9vB1 e6k9vB2 e6k9vE1 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7Z2P | Download | Experimental | e7z2pC2 e7z2pD1 e7z2pD2 e7z2pE1 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7E4R | Download | Experimental | e7e4rA1 e7e4rA2 e7e4rB1 e7e4rB2 e7e4rE1 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7E4P | Download | Experimental | e7e4pE1 e7e4pA1 e7e4pA2 e7e4pB1 e7e4pB2 | Stathmin Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 7E4Q | Download | Experimental | e7e4qA1 e7e4qA2 e7e4qB1 e7e4qB2 e7e4qE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7OGN | Download | Experimental | e7ognA2 e7ognB1 e7ognB2 e7ognE1 e7ognC1 e7ognC2 e7ognD1 e7ognD2 e7ognE1 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 7E4Y | Download | Experimental | e7e4yE1 e7e4yA1 e7e4yA2 e7e4yB1 e7e4yB2 | Stathmin Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 4IIJ | Download | Experimental | e4iijB3 e4iijB4 e4iijA3 e4iijA4 e4iijE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 6GZE | Download | Experimental | e6gzeA1 e6gzeA2 e6gzeB1 e6gzeB2 e6gzeE1 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Stathmin | LigPlot |
| 6GJ4 | Download | Experimental | e6gj4E1 e6gj4A1 e6gj4B1 e6gj4B2 | Stathmin Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5CB4 | Download | Experimental | e5cb4E1 | Stathmin | LigPlot |