Ligand name: 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
PDB ligand accession: 3SR
DrugBank: n/a
PubChem: 4894361
ChEMBL: CHEMBL1469703
InChI Key: AGUUKKXWABRVBZ-UHFFFAOYSA-N
SMILES: CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4
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 P00352

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WP7	Download	Experimental	e4wp7A1 e4wp7A2	ALDH-like ALDH-like	LigPlot