Ligand name: 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
PDB ligand accession: WHD
DrugBank: n/a
PubChem: 1091739
ChEMBL: n/a
InChI Key: DLXXWXOFLPDGAD-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNCc2ccc(cc2)F)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

List of PDB structures and/or AlphaFold models with target protein Q9Y2J2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5RZ5	Download	Experimental	e5rz5A3	beta-Grasp	LigPlot