Ligand name: (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
PDB ligand accession: WK1
DrugBank: n/a
PubChem: 146673005
ChEMBL: n/a
InChI Key: AVZATKWNGXCSDN-RQCLIRHHSA-N
SMILES: CC=C(C)C1C=CC2CC(CC(C2C1C(=C3C(=O)C(NC3=O)CC(C)(C(=O)O)O)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 Q2HBN6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KBC	Download	Experimental	e6kbcA1 e6kbcA2	AttH-like AttH-like	LigPlot