Ligand name: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine
PDB ligand accession: FKN
DrugBank: n/a
PubChem: 16045647
ChEMBL: n/a
InChI Key: UZKJZUHMKHFCAD-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl
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 Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FKN	Download	Experimental	e3fknA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot