Ligand name: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine
PDB ligand accession: XI2
DrugBank: n/a
PubChem: 44517635
ChEMBL: CHEMBL1236810
InChI Key: BIWWSRSPBBUSCN-MRVPVSSYSA-N
SMILES: CC(CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FMM	Download	Experimental	e3fmmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot