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 |
---|---|---|---|---|---|
5L68 | Download | Experimental | e5l68Y1 | Ntn/PP2C | LigPlot |
5L6C | Download | Experimental | e5l6cY1 | Ntn/PP2C | LigPlot |
5L6A | Download | Experimental | e5l6aK1 e5l6aY1 | Ntn/PP2C Ntn/PP2C | LigPlot |
5L69 | Download | Experimental | e5l69K1 e5l69Y1 | Ntn/PP2C Ntn/PP2C | LigPlot |
5L67 | Download | Experimental | e5l67K1 e5l67Y1 | Ntn/PP2C Ntn/PP2C | LigPlot |
5L6B | Download | Experimental | e5l6bK1 e5l6bY1 | Ntn/PP2C Ntn/PP2C | LigPlot |