Ligand name: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL: CHEMBL1234276
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

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HV4	Download	Experimental	e3hv4A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HUC	Download	Experimental	e3hucA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3GCU	Download	Experimental	e3gcuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HV5	Download	Experimental	e3hv5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot