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 |
---|---|---|---|---|---|
5XP3 | Download | Experimental | e5xp3A1 e5xp3A2 e5xp3B1 e5xp3B2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
5JCB | Download | Experimental | e5jcbA2 e5jcbB1 e5jcbB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
5XKE | Download | Experimental | e5xkeA2 e5xkeB1 e5xkeB2 | Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
5CA0 | Download | Experimental | e5ca0A1 e5ca0A2 e5ca0B1 e5ca0B2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
5XKH | Download | Experimental | e5xkhA1 e5xkhA2 e5xkhB1 e5xkhB2 | Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |