Ligand name: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
PDB ligand accession: PNX
DrugBank: DB00806
PubChem: 4740
ChEMBL: CHEMBL628
InChI Key: BYPFEZZEUUWMEJ-UHFFFAOYSA-N
SMILES: CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)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 Q873X9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2A3C	Download	Experimental	e2a3cA1 e2a3cA2 e2a3cB1 e2a3cB2	FKBP-like TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel	LigPlot