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 |
---|---|---|---|---|---|
6H13 | Download | Experimental | e6h13B1 | alpha/beta-Hydrolases | LigPlot |
1VXR | Download | Experimental | e1vxrA1 | alpha/beta-Hydrolases | LigPlot |
2WG0 | Download | Experimental | e2wg0A1 | alpha/beta-Hydrolases | LigPlot |
1HBJ | Download | Experimental | e1hbjA1 | alpha/beta-Hydrolases | LigPlot |
2BAG | Download | Experimental | e2bagA1 | alpha/beta-Hydrolases | LigPlot |
2CEK | Download | Experimental | e2cekA1 | alpha/beta-Hydrolases | LigPlot |
2DFP | Download | Experimental | e2dfpA1 | alpha/beta-Hydrolases | LigPlot |
3ZV7 | Download | Experimental | e3zv7A1 | alpha/beta-Hydrolases | LigPlot |
2WG1 | Download | Experimental | e2wg1A1 | alpha/beta-Hydrolases | LigPlot |
5BWB | Download | Experimental | e5bwbA1 | alpha/beta-Hydrolases | LigPlot |
6H14 | Download | Experimental | e6h14B1 | alpha/beta-Hydrolases | LigPlot |
6H12 | Download | Experimental | e6h12A1 | alpha/beta-Hydrolases | LigPlot |
7AIW | Download | Experimental | e7aiwA1 | alpha/beta-Hydrolases | LigPlot |