Ligand name: 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE
PDB ligand accession: PIB
DrugBank: n/a
PubChem: 446005
ChEMBL: n/a
InChI Key: NKJZZWLREOAJGO-HODIZBBFSA-N
SMILES: CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC
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 Q13614

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1ZSQ	Download	Experimental	e1zsqA2	Flavodoxin-like	LigPlot