Ligand name: 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
PDB ligand accession: K9Y
DrugBank: n/a
PubChem: 15945881
ChEMBL: CHEMBL2425144
InChI Key: INQBVHWEOAKYED-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q05397

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4K9Y	Download	Experimental	e4k9yA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot