Ligand name: 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
PDB ligand accession: PD5
DrugBank: n/a
PubChem: 25011745
ChEMBL: n/a
InChI Key: LEERPLGXOHLQPF-UHFFFAOYSA-N
SMILES: CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N
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 P00523

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QLF	Download	Experimental	e3qlfA1 e3qlfB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3EL8	Download	Experimental	e3el8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot