Ligand name: 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide
PDB ligand accession: I45
DrugBank: DB07941
PubChem: 22049997
ChEMBL: CHEMBL1088751
InChI Key: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of drug binding-associated PTMs

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
3HLL	Download	Experimental	e3hllA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot