Ligand name: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
PDB ligand accession: 7XU
DrugBank: n/a
PubChem: 54761307
ChEMBL: CHEMBL2178353
InChI Key: AHHAKQCKRCKTEH-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6
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
5X2F	Download	Experimental	e5x2fA1 e5x2fB1 e5x2fC1 e5x2fD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5X28	Download	Experimental	e5x28A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot