Ligand name: 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE
PDB ligand accession: PY8
DrugBank: DB08441
PubChem: 9952008
ChEMBL: CHEMBL1235529
InChI Key: AWSQADBSXFTFKL-UHFFFAOYSA-N
SMILES: c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2J9M	Download	Experimental	e2j9mA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot