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 P21645

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IHH	Download	Experimental	e4ihhA1 e4ihhB1 e4ihhB3 e4ihhB1 e4ihhC3 e4ihhD3 e4ihhF1 e4ihhD1 e4ihhE3 e4ihhE1 e4ihhE3 e4ihhF3	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix MurF and HprK N-domain-like Single-stranded left-handed beta-helix MurF and HprK N-domain-like MurF and HprK N-domain-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix MurF and HprK N-domain-like Single-stranded left-handed beta-helix MurF and HprK N-domain-like MurF and HprK N-domain-like	LigPlot