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 W0S1N1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7Y5E	Download	Experimental	e7y5eAN2 e7y5eBN2 e7y5eAN2 e7y5eBN2 e7y5eFN1 e7y5eJN1 e7y5eAN2 e7y5eIN1 e7y5eAN1 e7y5eJN1 e7y5eAN1 e7y5eKN1 e7y5e3N1 e7y5eA22 e7y5eB21 e7y5eA22 e7y5eB21 e7y5eF21 e7y5eJ21 e7y5eA22 e7y5eI21 e7y5eA21 e7y5eJ21 e7y5eA21 e7y5eK21 e7y5e321	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Subunit IX of photosystem I reaction centre, PsaJ Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem II antenna protein-like Subunit IX of photosystem I reaction centre, PsaJ Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK Chlorophyll a-b binding protein Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Subunit IX of photosystem I reaction centre, PsaJ Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem II antenna protein-like Subunit IX of photosystem I reaction centre, PsaJ Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK Chlorophyll a-b binding protein	LigPlot
7Y7A	Download	Experimental	e7y7aA71 e7y7aA72 e7y7aA72 e7y7aB71 e7y7aF71 e7y7aA72 e7y7aI71 e7y7aA71 e7y7aJ71 e7y7a371 e7y7aA71 e7y7aK71 e7y7aAo1 e7y7aAo2 e7y7aAo1 e7y7aBo2 e7y7aFo1 e7y7aAo1 e7y7aIo1 e7y7aAo2 e7y7aJo1 e7y7a3o1 e7y7aAo2 e7y7aKo1	Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem II antenna protein-like Subunit IX of photosystem I reaction centre, PsaJ Chlorophyll a-b binding protein Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK Bacterial photosystem II reaction centre L and M subunits-like Photosystem II antenna protein-like Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit III of photosystem I reaction centre, PsaF Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem II antenna protein-like Subunit IX of photosystem I reaction centre, PsaJ Chlorophyll a-b binding protein Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK	LigPlot