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 |
---|---|---|---|---|---|
3NAW | Download | Experimental | e3nawB2 e3nawA1 | Single-stranded right-handed beta-helix E3 ubiquitin-protein ligase SopA catalytic domain | LigPlot |
3NB2 | Download | Experimental | e3nb2C1 e3nb2A2 e3nb2C2 e3nb2A1 e3nb2B2 e3nb2D1 | E3 ubiquitin-protein ligase SopA catalytic domain Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix E3 ubiquitin-protein ligase SopA catalytic domain Single-stranded right-handed beta-helix E3 ubiquitin-protein ligase SopA catalytic domain | LigPlot |