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 P18206

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5L0C	Download	Experimental	e5l0cA1 e5l0cB1 e5l0cC1 e5l0cD1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
4PR9	Download	Experimental	e4pr9A1 e4pr9B1 e4pr9B1 e4pr9C1 e4pr9D1 e4pr9D1 e4pr9E1 e4pr9F1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
5L0D	Download	Experimental	e5l0dA1 e5l0dB1 e5l0dD1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
5L0H	Download	Experimental	e5l0hA1	Four-helical up-and-down bundle	LigPlot
5L0G	Download	Experimental	e5l0gA1 e5l0gB1 e5l0gC1 e5l0gD1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot