Ligand name: N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
PDB ligand accession: 314
DrugBank: n/a
PubChem: 24808496
ChEMBL: CHEMBL255194
InChI Key: UKXYKYZOSFWZIM-FLQGXGFZSA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CCN3)Cc4ccccc4)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Diarylheptanoids
      • Subclass: Linear diarylheptanoids

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3CIB	Download	Experimental	e3cibA2 e3cibA3 e3cibB2 e3cibB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot