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 Q68HB3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2EXJ	Download	Experimental	e2exjA1 e2exjA2 e2exjB1 e2exjB2 e2exjD1 e2exjD2	jelly-roll beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like	LigPlot
2EXK	Download	Experimental	e2exkA1 e2exkA2 e2exkB1 e2exkB2 e2exkD1 e2exkD2	jelly-roll beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like	LigPlot
2EXH	Download	Experimental	e2exhA1 e2exhA2 e2exhB1 e2exhB2 e2exhD1 e2exhD2	jelly-roll beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like	LigPlot
2EXI	Download	Experimental	e2exiA1 e2exiA2 e2exiB1 e2exiB2 e2exiD1 e2exiD2	jelly-roll beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like	LigPlot