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 |
---|---|---|---|---|---|
7Z0G | Download | Experimental | e7z0gA1 e7z0gA2 e7z0gB1 e7z0gR1 e7z0gR2 e7z0gS1 e7z0gS2 | Bacillus chorismate mutase-like Rossmann-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
7Q1F | Download | Experimental | e7q1fB1 e7q1fS2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like | LigPlot |