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 Q42975

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3F5L	Download	Experimental	e3f5lA1 e3f5lB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3F5K	Download	Experimental	e3f5kA1 e3f5kB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3F5J	Download	Experimental	e3f5jA1 e3f5jB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
2RGM	Download	Experimental	e2rgmA1 e2rgmB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3F4V	Download	Experimental	e3f4vA1 e3f4vB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
2RGL	Download	Experimental	e2rglA1 e2rglB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot