Ligand name: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine
PDB ligand accession: JBI
DrugBank: n/a
PubChem: 11647397
ChEMBL: CHEMBL1946325
InChI Key: IMFVPVKPQOQCBY-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5
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 P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TTJ	Download	Experimental	e3ttjA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot