Ligand name: 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE
PDB ligand accession: AU5
DrugBank: n/a
PubChem: 56973724
ChEMBL: CHEMBL2140523
InChI Key: YUKWVHPTFRQHMF-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)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 P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AP3	Download	Experimental	e5ap3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5AP0	Download	Experimental	e5ap0A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot