Ligand name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
PDB ligand accession: A8S
DrugBank: DB16829
PubChem: 5280896
ChEMBL: CHEMBL288040
InChI Key: JLIDBLDQVAYHNE-YKALOCIXSA-N
SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Sesquiterpenoids

List of PDB structures and/or AlphaFold models with target protein Q9CAJ0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZVU	Download	Experimental	e3zvuA2 e3zvuB1	TBP-like Ntn/PP2C	LigPlot
5MN0	Download	Experimental	e5mn0A1 e5mn0B1	TBP-like Ntn/PP2C	LigPlot
3KB3	Download	Experimental	e3kb3A1 e3kb3B1	TBP-like Ntn/PP2C	LigPlot
3QN1	Download	Experimental	e3qn1A1 e3qn1B1	TBP-like Ntn/PP2C	LigPlot
8AY9	Download	Experimental	e8ay9A1 e8ay9B1	TBP-like Ntn/PP2C	LigPlot