Ligand name: 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: 16W
DrugBank: n/a
PubChem: 53472153
ChEMBL: CHEMBL2069623
InChI Key: AUMDBEHGJRZSOO-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)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 P49674

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HNI	Download	Experimental	e4hniA2 e4hniB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot