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 |
|---|---|---|---|---|---|
| 7JIV | Download | Experimental | e7jivA1 e7jivA2 | Cysteine proteinases-like beta-Grasp | LigPlot |
| 7JIR | Download | Experimental | e7jirA1 e7jirA2 | beta-Grasp Cysteine proteinases-like | LigPlot |
| 7JIT | Download | Experimental | e7jitA1 e7jitA2 | Cysteine proteinases-like beta-Grasp | LigPlot |
| 7KOL | Download | Experimental | e7kolA1 | Cysteine proteinases-like | LigPlot |
| 7KOK | Download | Experimental | e7kokA1 e7kokA2 | beta-Grasp Cysteine proteinases-like | LigPlot |
| 7JIW | Download | Experimental | e7jiwA2 | Cysteine proteinases-like | LigPlot |
| 7KOJ | Download | Experimental | e7kojA1 e7kojA2 | Cysteine proteinases-like beta-Grasp | LigPlot |