Ligand name: 3[N-MORPHOLINO]PROPANE SULFONIC ACID
PDB ligand accession: MPO
DrugBank: DB03434
PubChem: 70807;2723950;
ChEMBL: CHEMBL1234443
InChI Key: DVLFYONBTKHTER-UHFFFAOYSA-N
SMILES: C1COCCN1CCCS(=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 G7KRM5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BSG	Download	Experimental	e5bsgA1 e5bsgA2 e5bsgB1 e5bsgA1 e5bsgA2 e5bsgB1 e5bsgB2 e5bsgC1 e5bsgC2 e5bsgD1 e5bsgC2 e5bsgD1 e5bsgD2 e5bsgE1 e5bsgE2 e5bsgF1 e5bsgE2 e5bsgF1 e5bsgF2 e5bsgG1 e5bsgG2 e5bsgH2 e5bsgG1 e5bsgH1 e5bsgH2 e5bsgI1 e5bsgI2 e5bsgJ1 e5bsgI2 e5bsgJ1 e5bsgJ2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
5BSE	Download	Experimental	e5bseA1 e5bseA2 e5bseB1 e5bseC1 e5bseC2 e5bseD1 e5bseG2 e5bseH1 e5bseH2 e5bseI1 e5bseI2 e5bseJ1 e5bseI1 e5bseJ1 e5bseJ2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
5BSF	Download	Experimental	e5bsfA1 e5bsfA2 e5bsfB1 e5bsfA1 e5bsfA2 e5bsfB1 e5bsfB2 e5bsfC1 e5bsfC2 e5bsfD2 e5bsfC1 e5bsfD1 e5bsfD2 e5bsfE1 e5bsfE2 e5bsfF1 e5bsfE2 e5bsfF1 e5bsfF2 e5bsfG1 e5bsfG2 e5bsfH2 e5bsfG1 e5bsfH1 e5bsfH2 e5bsfI1 e5bsfI2 e5bsfJ1 e5bsfI2 e5bsfJ1 e5bsfJ2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot