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 |
---|---|---|---|---|---|
1WLD | Download | Experimental | e1wldA1 | jelly-roll | LigPlot |
1WLW | Download | Experimental | e1wlwA1 | jelly-roll | LigPlot |
1WLC | Download | Experimental | e1wlcA1 | jelly-roll | LigPlot |
1IS6 | Download | Experimental | e1is6A1 | jelly-roll | LigPlot |
1IS3 | Download | Experimental | e1is3A1 | jelly-roll | LigPlot |