Ligand name: 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
PDB ligand accession: HET
DrugBank: n/a
PubChem: 9934643
ChEMBL: CHEMBL1089405
InChI Key: VVOYROSONSLQQK-UHFFFAOYSA-N
SMILES: CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O
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 P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BDJ	Download	Experimental	e2bdjA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot