Ligand name: N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
PDB ligand accession: CS7
DrugBank: n/a
PubChem: 11556254
ChEMBL: CHEMBL270359
InChI Key: GZHSLBYVXGDJDF-NXVJRICRSA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CN3)OCc4ccccc4)O)C
Drug action: n/a

ClassyFire chemical classification:

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

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
2QMD	Download	Experimental	e2qmdA2 e2qmdA3 e2qmdB2 e2qmdB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot