Ligand name: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate
PDB ligand accession: XS9
DrugBank: n/a
PubChem: 452544
ChEMBL: CHEMBL118987
InChI Key: DGOSGFYDFDYMCW-OEFRVDPMSA-N
SMILES: CCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCCCCCC)O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9HBA0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FCA	Download	Experimental	e8fcaA1 e8fcaB2 e8fcaC2 e8fcaD2	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
8T1D	Download	Experimental	e8t1dA1 e8t1dA2 e8t1dB1 e8t1dB2 e8t1dC1 e8t1dC2 e8t1dD1 e8t1dD2	Repetitive alpha hairpins Voltage-gated ion channels Voltage-gated ion channels Repetitive alpha hairpins Repetitive alpha hairpins Voltage-gated ion channels Voltage-gated ion channels Repetitive alpha hairpins	LigPlot