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 |
---|---|---|---|---|---|
4DQQ | Download | Experimental | e4dqqA9 e4dqqA11 e4dqqA12 | Alpha-beta plaits helical bundle in Bacillus stearothermophilus-like DNA polymerase I "fingers" domain in bacteriophage RB69-like DNA polymerase I | LigPlot |
4E0D | Download | Experimental | e4e0dA9 e4e0dA11 | Alpha-beta plaits helical bundle in Bacillus stearothermophilus-like DNA polymerase I | LigPlot |