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

ClassyFire chemical classification:

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

List of proteins that are targets for PNX

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q9AMP1_PNX	Q9AMP1	n/a
2	P21589_PNX	P21589	inhibitor
3	P27815_PNX	P27815	n/a	IC50(nM) = 168000.0
4	Q873X9_PNX	Q873X9	n/a	Ki(nM) = 37000.0 IC50(nM) = 126000.0 Kd(nM) = 17000.0
5	P30542_PNX	P30542	n/a
6	P29274_PNX	P29274	agonist	Ki(nM) = 10000.0