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 Q8GTM0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CQK	Download	Experimental	e4cqkA1 e4cqkC1 e4cqkG1 e4cqkJ1 e4cqkB1 e4cqkC1 e4cqkH1 e4cqkJ1 e4cqkA1 e4cqkD1 e4cqkG1 e4cqkN1 e4cqkD1 e4cqkE1 e4cqkN1 e4cqkB1 e4cqkF1 e4cqkH1 e4cqkK1 e4cqkF1 e4cqkI1 e4cqkK1 e4cqkL1 e4cqkI1 e4cqkL1 e4cqkM1	omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like omega toxin-like	LigPlot