Ligand name: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
PDB ligand accession: CK9
DrugBank: DB04662
PubChem: 5494414
ChEMBL: CHEMBL1094304
InChI Key: NDUVSANREQEDRE-CQSZACIVSA-N
SMILES: CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O
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 P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2A0C	Download	Experimental	e2a0cX1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot