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 C0HK49

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VYP	Download	Experimental	e5vypA1 e5vypB1 e5vypC1 e5vypT1 e5vypV1 e5vypA1 e5vypB1 e5vypC1 e5vypR1 e5vypT1 e5vypV1 e5vypB1 e5vypC1 e5vypD1 e5vypE1 e5vypB1 e5vypC1 e5vypD1 e5vypE1 e5vypT1 e5vypD1 e5vypE1 e5vypF1 e5vypG1 e5vypF1 e5vypG1 e5vypH1 e5vypI1 e5vypS1 e5vypF1 e5vypG1 e5vypH1 e5vypI1 e5vypH1 e5vypI1 e5vypJ1 e5vypK1 e5vypQ1 e5vypS1 e5vypH1 e5vypI1 e5vypJ1 e5vypK1 e5vypJ1 e5vypK1 e5vypL1 e5vypO1 e5vypQ1 e5vypS1 e5vypJ1 e5vypK1 e5vypL1 e5vypO1 e5vypQ1 e5vypH1 e5vypJ1 e5vypM1 e5vypN1 e5vypO1 e5vypF1 e5vypH1 e5vypJ1 e5vypM1 e5vypN1 e5vypO1 e5vypN1 e5vypO1 e5vypP1 e5vypQ1 e5vypF1 e5vypN1 e5vypO1 e5vypP1 e5vypQ1 e5vypP1 e5vypQ1 e5vypR1 e5vypS1 e5vypR1 e5vypS1 e5vypT1 e5vypU1 e5vypE1 e5vypT1 e5vypU1 e5vypV1 e5vypW1 e5vypT1 e5vypU1 e5vypV1 e5vypW1 e5vypC1 e5vypE1 e5vypG1 e5vypV1 e5vypW1 e5vypX1 e5vypC1 e5vypE1 e5vypV1 e5vypW1 e5vypX1	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 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 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 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