Ligand name: [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
PDB ligand accession: PIO
DrugBank: n/a
PubChem: 9543520
ChEMBL: n/a
InChI Key: XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES: CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Glycerophospholipids
      • Subclass: Glycerophosphoinositol phosphates

List of PDB structures and/or AlphaFold models with target protein Q9XSM3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7T6Q	Download	Experimental	e7t6qA1 e7t6qA2 e7t6qB1 e7t6qB2 e7t6qC1 e7t6qC2 e7t6qD1 e7t6qD2	Repetitive alpha hairpins Voltage-gated ion channels Voltage-gated ion channels Repetitive alpha hairpins Repetitive alpha hairpins Voltage-gated ion channels Repetitive alpha hairpins Voltage-gated ion channels	LigPlot
7T6M	Download	Experimental	e7t6mA1 e7t6mA2 e7t6mB1 e7t6mB2 e7t6mC1 e7t6mC2 e7t6mD1 e7t6mD2	Voltage-gated ion channels Repetitive alpha hairpins Repetitive alpha hairpins Voltage-gated ion channels Voltage-gated ion channels Repetitive alpha hairpins Repetitive alpha hairpins Voltage-gated ion channels	LigPlot
8FFO	Download	Experimental	e8ffoA1 e8ffoA2 e8ffoB1 e8ffoB2 e8ffoC1 e8ffoC2 e8ffoD1 e8ffoD2	Repetitive alpha hairpins Voltage-gated ion channels Repetitive alpha hairpins Voltage-gated ion channels Repetitive alpha hairpins Voltage-gated ion channels Repetitive alpha hairpins Voltage-gated ion channels	LigPlot
6DMU	Download	Experimental	e6dmuA1 e6dmuA2 e6dmuB1 e6dmuB2 e6dmuC1 e6dmuC2 e6dmuD1 e6dmuD2	Repetitive alpha hairpins Voltage-gated ion channels Voltage-gated ion channels Repetitive alpha hairpins Voltage-gated ion channels Repetitive alpha hairpins Repetitive alpha hairpins Voltage-gated ion channels	LigPlot