Ligand name: 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
PDB ligand accession: S21
DrugBank: n/a
PubChem: 11065204
ChEMBL: CHEMBL483287
InChI Key: CDSAMNVLRSHLPN-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]
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 Q965D7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3AZ8	Download	Experimental	e3az8C2 e3az8D2 e3az8F2 e3az8E2 e3az8O2 e3az8P2 e3az8R2 e3az8Q2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot