Ligand name: 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
PDB ligand accession: BFX
DrugBank: n/a
PubChem: 10348528
ChEMBL: CHEMBL1088430
InChI Key: GNQKDXQPKKYVIX-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3K1W	Download	Experimental	e3k1wA2 e3k1wA3 e3k1wB2 e3k1wB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot