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 |
---|---|---|---|---|---|
3WNN | Download | Experimental | e3wnnA1 e3wnnA2 e3wnnA3 e3wnnB1 e3wnnB2 e3wnnB3 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |
3WNP | Download | Experimental | e3wnpA1 e3wnpA2 e3wnpA3 e3wnpB4 e3wnpB1 e3wnpB2 | Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel | LigPlot |
3WNM | Download | Experimental | e3wnmA1 e3wnmA2 e3wnmA3 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |
3WNL | Download | Experimental | e3wnlA1 e3wnlA2 e3wnlA3 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |
3WNO | Download | Experimental | e3wnoA1 e3wnoA2 e3wnoA3 e3wnoB1 e3wnoB2 e3wnoB3 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |