Ligand name: N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
PDB ligand accession: AQX
DrugBank: n/a
PubChem: 135416439
ChEMBL: CHEMBL1476011
InChI Key: VCFXXKDAPCCCGQ-UHFFFAOYSA-N
SMILES: c1cc(ccc1NC(=O)CSC2=Nc3c(cnn3c4ccc(cc4)F)C(=O)N2)Br
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 Q9BZX2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7SQL	Download	Experimental	e7sqlA1 e7sqlB1 e7sqlC1 e7sqlD1 e7sqlB1 e7sqlC1 e7sqlD1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot