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 B4WP22

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7S3D	Download	Experimental	e7s3dA2 e7s3dB2 e7s3dI1 e7s3dL1 e7s3dL1 e7s3dU1 e7s3dG2 e7s3dH2 e7s3dR1 e7s3dU1 e7s3dU1 e7s3dl1 e7s3da2 e7s3db2 e7s3di1 e7s3dl1 e7s3dL1 e7s3dl1	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 I reaction center subunit XI, PsaL 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 Photosystem I reaction center subunit XI, PsaL 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 Photosystem I reaction center subunit XI, PsaL Photosystem I reaction center subunit XI, PsaL	LigPlot