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 A0A2N6MR25

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LX0	Download	Experimental	e7lx0G2 e7lx0H2 e7lx0R1 e7lx0U1 e7lx0H1 e7lx0R1 e7lx0V1 e7lx0a2 e7lx0b2 e7lx0i1 e7lx0l1 e7lx0b1 e7lx0i1 e7lx0m1 e7lx0A2 e7lx0B2 e7lx0I1 e7lx0L1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Photosystem II antenna protein-like Subunit VIII of photosystem I reaction centre, PsaI Subunit XII of photosystem I reaction centre, PsaM Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Photosystem II antenna protein-like Subunit VIII of photosystem I reaction centre, PsaI Subunit XII of photosystem I reaction centre, PsaM Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL	LigPlot
6PNJ	Download	Experimental	e6pnjB2 e6pnjI1 e6pnjL1 e6pnjH1 e6pnjR1 e6pnjU1 e6pnja1 e6pnjb2 e6pnji1 e6pnjl1	Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Subunit VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL	LigPlot