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 |
---|---|---|---|---|---|
4UAS | Download | Experimental | e4uasA1 e4uasB1 | HAD domain-related HAD domain-related | LigPlot |
4UAU | Download | Experimental | e4uauA1 e4uauB1 | HAD domain-related HAD domain-related | LigPlot |
4UAT | Download | Experimental | e4uatA1 e4uatB1 | HAD domain-related HAD domain-related | LigPlot |