Ligand name: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium
PDB ligand accession: 476
DrugBank: n/a
PubChem: 11551562
ChEMBL: n/a
InChI Key: QVWIHYAQHVVJSB-UHFFFAOYSA-O
SMILES: CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q4QBL1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4JZX	Download	Experimental	e4jzxA1 e4jzxB1	Terpenoid synthases Terpenoid synthases	LigPlot
6W7I	Download	Experimental	e6w7iA1 e6w7iA1 e6w7iB1	Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot
6WW1	Download	Experimental	e6ww1A1 e6ww1B1	Terpenoid synthases Terpenoid synthases	LigPlot
6VJC	Download	Experimental	e6vjcA1 e6vjcB1	Terpenoid synthases Terpenoid synthases	LigPlot