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 |
---|---|---|---|---|---|
4U44 | Download | Experimental | e4u44A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4U45 | Download | Experimental | e4u45B1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4OBP | Download | Experimental | e4obpA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4ZK5 | Download | Experimental | e4zk5A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4U3Z | Download | Experimental | e4u3zA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4U41 | Download | Experimental | e4u41A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4OBO | Download | Experimental | e4oboA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4U42 | Download | Experimental | e4u42A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4RVT | Download | Experimental | e4rvtA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4OBQ | Download | Experimental | e4obqA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |