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 |
---|---|---|---|---|---|
5NJ9 | Download | Experimental | e5nj9B1 e5nj9D3 | a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) | LigPlot |
5NJA | Download | Experimental | e5njaB2 e5njaD1 | a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) | LigPlot |
5NJC | Download | Experimental | e5njcB1 e5njcD1 | a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) | LigPlot |
5NJF | Download | Experimental | e5njfA2 e5njfA3 e5njfB1 e5njfB2 e5njfB1 e5njfD1 | a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) a+b domain in putative modulator of DNA gyrase, PmbA/TldD (Pfam 01523) | LigPlot |