Ligand name: 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
PDB ligand accession: PJQ
DrugBank: n/a
PubChem: 85473438
ChEMBL: CHEMBL4466522
InChI Key: PRJHEJGMSOBHTO-UHFFFAOYSA-N
SMILES: CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein P0AEX9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YSN	Download	Experimental	e6ysnA2 e6ysnD2 e6ysnA2 e6ysnB2 e6ysnB2 e6ysnC2 e6ysnC2 e6ysnD2	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot