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 |
|---|---|---|---|---|---|
| 6S89 | Download | Experimental | e6s89A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 7SI1 | Download | Experimental | e7si1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4WKQ | Download | Experimental | e4wkqA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4WRG | Download | Experimental | e4wrgA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 3UG1 | Download | Experimental | e3ug1A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 7B85 | Download | Experimental | e7b85A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 3W2Q | Download | Experimental | e3w2qA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 6S8A | Download | Experimental | e6s8aA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4KRL | Download | Experimental | e4krlA1 | Single-stranded right-handed beta-helix | LigPlot |
| 7ZYP | Download | Experimental | e7zypA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 7ZYN | Download | Experimental | e7zynA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 8A2D | Download | Experimental | e8a2dA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 3UG2 | Download | Experimental | e3ug2A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |