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 |
---|---|---|---|---|---|
6HVV | Download | Experimental | e6hvvH1 e6hvvZ1 e6hvvV1 e6hvvL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
6HV4 | Download | Experimental | e6hv4H1 e6hv4Z1 e6hv4V1 e6hv4L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
6HVW | Download | Experimental | e6hvwH1 e6hvwZ1 e6hvwV1 e6hvwL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |