Ligand name: 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE
PDB ligand accession: TFC
DrugBank: DB08612
PubChem: 146089
ChEMBL: CHEMBL89506
InChI Key: WMQHRXUKAYSPPK-UHFFFAOYSA-N
SMILES: CCCCCCCCSCC(=O)C(F)(F)F
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 Q9GPG0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2FJ0	Download	Experimental	e2fj0A1	alpha/beta-Hydrolases	LigPlot