Ligand name: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine
PDB ligand accession: XB7
DrugBank: DB00637
PubChem: 2247
ChEMBL: CHEMBL296419
InChI Key: GXDALQBWZGODGZ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: None

List of proteins that are targets for XB7

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P10636_XB7	P10636	n/a
2	Q12809_XB7	Q12809	inhibitor	Ki(nM) = 2.9 IC50(nM) = 0.9 EC50(nM) = 1.9
3	P35367_XB7	P35367	antagonist	Ki(nM) = 0.8
4	O75530_XB7	O75530	n/a	Ki(nM) = 23010.0 IC50(nM) = 93800.0
5	O95259_XB7	O95259	n/a