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 B4WP20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7S3D	Download	Experimental	e7s3dA2 e7s3dB2 e7s3dA2 e7s3dB2 e7s3dI1 e7s3dL1 e7s3dA1 e7s3dK1 e7s3dG2 e7s3dH2 e7s3dG2 e7s3dH2 e7s3dR1 e7s3dU1 e7s3dG1 e7s3dT1 e7s3da2 e7s3db2 e7s3da2 e7s3db2 e7s3di1 e7s3dl1 e7s3da1 e7s3dk1	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 VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK 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 VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK 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 VIII of photosystem I reaction centre, PsaI Photosystem I reaction center subunit XI, PsaL Photosystem II antenna protein-like Photosystem I reaction center subunit X, PsaK	LigPlot