Ligand name: (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
PDB ligand accession: AP9
DrugBank: DB07379
PubChem: 6914609
ChEMBL: n/a
InChI Key: RAMROQQYRRQPDL-OAHLLOKOSA-N
SMILES: CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2F2C	Download	Experimental	e2f2cB1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot