Ligand name: (7S)-7-hydroxy-1-phenyloctane-1,3,5-trione
PDB ligand accession: HTK
DrugBank: n/a
PubChem: 71748654
ChEMBL: n/a
InChI Key: XVSDLQKOWGRQBE-JTQLQIEISA-N
SMILES: CC(CC(=O)CC(=O)CC(=O)c1ccccc1)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 Q9KHK2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W8Z	Download	Experimental	e3w8zA1 e3w8zA2 e3w8zB1 e3w8zB2	FAD-binding domain-like Alpha-beta plaits Alpha-beta plaits FAD-binding domain-like	LigPlot