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 P78417

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YQM	Download	Experimental	e4yqmA2 e4yqmB2 e4yqmC1 e4yqmB1 e4yqmC2	Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like	LigPlot
6MHB	Download	Experimental	e6mhbA2 e6mhbC1 e6mhbA1 e6mhbC2 e6mhbD1 e6mhbE1 e6mhbE2 e6mhbB1 e6mhbF1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like	LigPlot
4YQU	Download	Experimental	e4yquA1 e4yquB2 e4yquA1 e4yquA2 e4yquB1	Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like	LigPlot
6MHC	Download	Experimental	e6mhcA2 e6mhcB1 e6mhcA1 e6mhcA2 e6mhcB2	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like	LigPlot
6MHD	Download	Experimental	e6mhdA2 e6mhdB2 e6mhdA1 e6mhdA2 e6mhdB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like	LigPlot