Ligand name: BETA-CAROTENE
PDB ligand accession: BCR
DrugBank: DB06755
PubChem: 5280489
ChEMBL: CHEMBL1293
InChI Key: OENHQHLEOONYIE-JLTXGRSLSA-N
SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(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 A0A1C8XRP4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PI5	Download	Experimental	e7pi5D1 e7pi5F1 e7pi5J1 e7pi5d1 e7pi5f1 e7pi5j1	Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Photosystem II reaction center protein J, PsbJ Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Photosystem II reaction center protein J, PsbJ	LigPlot
7PNK	Download	Experimental	e7pnkD1 e7pnkF1 e7pnkJ1 e7pnkd1 e7pnkf1 e7pnkj1	Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Photosystem II reaction center protein J, PsbJ Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Photosystem II reaction center protein J, PsbJ	LigPlot
7PIN	Download	Experimental	e7pinD1 e7pinF1 e7pind1 e7pine1 e7pinf1 e7pinD11 e7pinF11 e7pind11 e7pinf11	Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Cytochrome b559 subunits Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits	LigPlot
7PI0	Download	Experimental	e7pi0D1 e7pi0F1 e7pi0d1 e7pi0f1	Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits	LigPlot