Ligand name: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
PDB ligand accession: B2B
DrugBank: n/a
PubChem: 53318991
ChEMBL: n/a
InChI Key: AJNPGMLYFPAQEA-YYTMOYMQSA-N
SMILES: CCC(=CCCC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)O)O)C=CC(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Sesquiterpenoids

List of proteins that are targets for B2B

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q06124_B2B	Q06124	n/a