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 |
---|---|---|---|---|---|
2GNA | Download | Experimental | e2gnaB1 | Rossmann-like | LigPlot |
2GN9 | Download | Experimental | e2gn9B1 | Rossmann-like | LigPlot |
2GN4 | Download | Experimental | e2gn4A1 e2gn4B1 | Rossmann-like Rossmann-like | LigPlot |
2GN6 | Download | Experimental | e2gn6B1 | Rossmann-like | LigPlot |
2GN8 | Download | Experimental | e2gn8A1 e2gn8B1 | Rossmann-like Rossmann-like | LigPlot |