Ligand name: IBANDRONATE
PDB ligand accession: BFQ
DrugBank: DB00710
PubChem: 60852;146015366;
ChEMBL: CHEMBL997
InChI Key: MPBVHIBUJCELCL-UHFFFAOYSA-N
SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic phosphonic acids and derivatives
      • Subclass: Bisphosphonates

List of proteins that are targets for BFQ

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q9HWY4_BFQ	Q9HWY4	n/a
2	P14324_BFQ	P14324	inhibitor	Ki(nM) = 3.6 IC50(nM) = 20.0
3	A0A0A0RDR2_BFQ	A0A0A0RDR2	n/a
4	O95749_BFQ	O95749	inhibitor	IC50(nM) = 79430.0