Ligand name: beta,beta-carotene-4,4'-dione
PDB ligand accession: 45D
DrugBank: n/a
PubChem: 5281227
ChEMBL: CHEMBL1329004
InChI Key: FDSDTBUPSURDBL-DKLMTRRASA-N
SMILES: CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8YSD9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HGR	Download	Experimental	e5hgrA1 e5hgrA2 e5hgrB1 e5hgrB2	Orange carotenoid protein, N-terminal domain Cystatin-like Cystatin-like Orange carotenoid protein, N-terminal domain	LigPlot