Ligand name: 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
PDB ligand accession: TLS
DrugBank: DB00966
PubChem: 65999
ChEMBL: CHEMBL1017
InChI Key: RMMXLENWKUUMAY-UHFFFAOYSA-N
SMILES: CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

List of proteins that are targets for DB00966

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P37231_TLS	P37231	partial agonist	Ki(nM) = 1080.0 IC50(nM) = 12200.0 EC50(nM) = 700.0
2	P30556_TLS	P30556	antagonist	IC50(nM) = 0.49