Ligand name: 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: DXR
DrugBank: n/a
PubChem: 24865027
ChEMBL: CHEMBL1232415
InChI Key: FTICVONBLRGQJW-UHFFFAOYSA-N
SMILES: CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[3,4-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q8IBS5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QOX	Download	Experimental	e4qoxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot