Ligand name: N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
PDB ligand accession: 7XO
DrugBank: n/a
PubChem: 54759842
ChEMBL: CHEMBL2178351
InChI Key: BJQHKZQCLPRNHN-UHFFFAOYSA-N
SMILES: CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5
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
5X2A	Download	Experimental	e5x2aA1 e5x2aB1 e5x2aD1 e5x2aA1 e5x2aC1	Protein kinase/SAICAR synthase/ATP-grasp 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
5X26	Download	Experimental	e5x26A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot