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 |
---|---|---|---|---|---|
2IB7 | Download | Experimental | e2ib7A1 e2ib7C1 e2ib7B1 e2ib7D1 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |
2IBY | Download | Experimental | e2ibyA1 e2ibyC1 | Thiolase-like Thiolase-like | LigPlot |
2IB8 | Download | Experimental | e2ib8A1 e2ib8C1 e2ib8B1 e2ib8D1 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |
2IB9 | Download | Experimental | e2ib9A1 e2ib9C1 e2ib9B1 e2ib9D1 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |
2IBW | Download | Experimental | e2ibwA1 e2ibwC1 | Thiolase-like Thiolase-like | LigPlot |