Ligand name: 4-(2-bromophenyl)-2,4-dioxobutanoic acid
PDB ligand accession: I92
DrugBank: n/a
PubChem: 46190492
ChEMBL: n/a
InChI Key: HQXXYSXUODFGRE-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein P0A5J4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S9Z	Download	Experimental	e3s9zA1	TIM beta/alpha-barrel	LigPlot