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 |
---|---|---|---|---|---|
2A7P | Download | Experimental | e2a7pA1 | TIM beta/alpha-barrel | LigPlot |
1P4C | Download | Experimental | e1p4cA1 | TIM beta/alpha-barrel | LigPlot |
3GIY | Download | Experimental | e3giyA1 | TIM beta/alpha-barrel | LigPlot |
2A85 | Download | Experimental | e2a85A1 | TIM beta/alpha-barrel | LigPlot |
2A7N | Download | Experimental | e2a7nA1 | TIM beta/alpha-barrel | LigPlot |
1P5B | Download | Experimental | e1p5bA1 | TIM beta/alpha-barrel | LigPlot |
1HUV | Download | Experimental | e1huvA1 | TIM beta/alpha-barrel | LigPlot |