Ligand name: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
PDB ligand accession: AQR
DrugBank: DB18736
PubChem: 122724
ChEMBL: CHEMBL301982
InChI Key: KQJSQWZMSAGSHN-JJWQIEBTSA-N
SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q06830

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WET	Download	Experimental	e7wetA1 e7wetB1	Thioredoxin-like Thioredoxin-like	LigPlot