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 |
---|---|---|---|---|---|
4C55 | Download | Experimental | e4c55A1 e4c55B1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
4C54 | Download | Experimental | e4c54A2 e4c54B2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |