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 B3LRE1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NVG	Download	Experimental	e4nvgB1	Heme-dependent peroxidases	LigPlot
4NVM	Download	Experimental	e4nvmB1	Heme-dependent peroxidases	LigPlot
4NVF	Download	Experimental	e4nvfA1	Heme-dependent peroxidases	LigPlot
4JQN	Download	Experimental	e4jqnA1	Heme-dependent peroxidases	LigPlot
4JM5	Download	Experimental	e4jm5A1	Heme-dependent peroxidases	LigPlot
4JMB	Download	Experimental	e4jmbA1	Heme-dependent peroxidases	LigPlot
5U5V	Download	Experimental	e5u5vA1	Heme-dependent peroxidases	LigPlot
4NVJ	Download	Experimental	e4nvjB1	Heme-dependent peroxidases	LigPlot