Ligand name: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
PDB ligand accession: AEE
DrugBank: DB12558
PubChem: 10297043
ChEMBL: CHEMBL587723
InChI Key: OONFNUWBHFSNBT-HXUWFJFHSA-N
SMILES: CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4NC(C)c5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JIU	Download	Experimental	e2jiuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2ITT	Download	Experimental	e2ittA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2ITP	Download	Experimental	e2itpA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2J6M	Download	Experimental	e2j6mA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot