Ligand name: 1,3-dimethyl-7-propyl-purine-2,6-dione
PDB ligand accession: E7R
DrugBank: n/a
PubChem: 847168
ChEMBL: CHEMBL26455
InChI Key: HGFWMGARSDHJFP-UHFFFAOYSA-N
SMILES: CCCn1cnc2c1C(=O)N(C(=O)N2C)C
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 Q4E2I1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6L7X	Download	Experimental	e6l7xA1	mRNA triphosphatase CET1-related	LigPlot