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
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein O95749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6R4V	Download	Experimental	e6r4vA1 e6r4vC1 e6r4vF1 e6r4vE1 e6r4vB1 e6r4vD1	Terpenoid synthases Terpenoid synthases Terpenoid synthases Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot