Ligand name: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime
PDB ligand accession: J88
DrugBank: DB08015
PubChem: 45270264
ChEMBL: CHEMBL549385
InChI Key: SZYREAUDQRVVLV-DAFNUICNSA-N
SMILES: c1ccc(cc1)c2cccc3c2C(=NO)C(=O)N3Cc4cc(cc5c4OCOC5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxanes
      • Subclass: Benzo-1,3-dioxanes

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3G9N	Download	Experimental	e3g9nA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot