Ligand name: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
PDB ligand accession: J72
DrugBank: DB08011
PubChem: 46937116
ChEMBL: n/a
InChI Key: DXIHOIDYHQSQKJ-HMMYKYKNSA-N
SMILES: c1cc2c(cc1F)C(=NO)C(=O)N2Cc3cc(cc4c3OCOC4)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
3G90	Download	Experimental	e3g90X1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot