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 |
---|---|---|---|---|---|
1IA4 | Download | Experimental | e1ia4A1 e1ia4B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
1M79 | Download | Experimental | e1m79A1 e1m79B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
1IA2 | Download | Experimental | e1ia2A1 e1ia2B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
1IA3 | Download | Experimental | e1ia3A1 e1ia3B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |