Ligand name: VARENICLINE
PDB ligand accession: QMR
DrugBank: DB01273
PubChem: 5310966
ChEMBL: CHEMBL1076903
InChI Key: JQSHBVHOMNKWFT-DTORHVGOSA-N
SMILES: c1cnc2cc3c(cc2n1)C4CC3CNC4
Drug action: partial agonist

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P17787

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UR8	Download	Experimental	e6ur8B2 e6ur8A2 e6ur8D2 e6ur8E2	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
6USF	Download	Experimental	e6usfA1 e6usfB1 e6usfD1 e6usfE2	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot