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 |
---|---|---|---|---|---|
6HSD | Download | Experimental | e6hsdA1 e6hsdC1 e6hsdB1 e6hsdD1 | HTH HTH HTH HTH | LigPlot |
6Y45 | Download | Experimental | e6y45B1 e6y45C1 e6y45D1 | HTH HTH HTH | LigPlot |
6HSM | Download | Experimental | e6hsmA1 e6hsmD1 e6hsmG1 e6hsmE1 | HTH HTH HTH HTH | LigPlot |