Ligand name: 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
PDB ligand accession: 7XR
DrugBank: n/a
PubChem: 54760383
ChEMBL: CHEMBL2178352
InChI Key: QPOURHROVVCOHC-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5X27	Download	Experimental	e5x27A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5X2C	Download	Experimental	e5x2cA1 e5x2cB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot