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 |
---|---|---|---|---|---|
6HUV | Download | Experimental | e6huvH1 e6huvN1 e6huvV1 e6huvb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
4Y9Y | Download | Experimental | e4y9yM1 e4y9yN1 e4y9ya1 e4y9yb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
5L6A | Download | Experimental | e5l6aa1 e5l6ab1 | Ntn/PP2C Ntn/PP2C | LigPlot |
6HVW | Download | Experimental | e6hvwM1 e6hvwN1 e6hvwa1 e6hvwb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |