Ligand name: (1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL
PDB ligand accession: I3S
DrugBank: DB01729
PubChem: 439455
ChEMBL: CHEMBL329137
InChI Key: MMWCIQZXVOZEGG-MLQGYMEPSA-N
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q9XYQ1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Z2P	Download	Experimental	e1z2pX2 e1z2pX3	Rossmann-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot