Ligand name: 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE
PDB ligand accession: CX9
DrugBank: n/a
PubChem: 15602759
ChEMBL: CHEMBL1738785
InChI Key: PUHJHZQYIBJCSQ-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=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 Q9BZP6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YBU	Download	Experimental	e2ybuA1 e2ybuA2 e2ybuD2 e2ybuB1 e2ybuB2 e2ybuF2 e2ybuC1 e2ybuC2 e2ybuA2 e2ybuD1 e2ybuD2 e2ybuE1 e2ybuE2 e2ybuB2 e2ybuF1 e2ybuF2	FKBP-like TIM beta/alpha-barrel TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel	LigPlot