Ligand name: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
PDB ligand accession: PXN
DrugBank: n/a
PubChem: 45489525
ChEMBL: n/a
InChI Key: GXEZGLLPFFKHGE-FPCVCCKLSA-N
SMILES: CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q8NB16

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MWI	Download	Experimental	e4mwiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot