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 Q12518

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7B2L	Download	Experimental	e7b2lA1 e7b2lC1 e7b2lA1 e7b2lH1 e7b2lB1 e7b2lC1 e7b2lD1 e7b2lF1 e7b2lH1 e7b2lC1 e7b2lF1 e7b2lG2 e7b2lH1 e7b2lI1 e7b2lK1 e7b2lM1 e7b2lK1 e7b2lR1 e7b2lL1 e7b2lM1 e7b2lN1 e7b2lP1 e7b2lR1 e7b2lM1 e7b2lP1 e7b2lQ2 e7b2lR1 e7b2lS1	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot