Ligand name: N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
PDB ligand accession: CS9
DrugBank: n/a
PubChem: 11614083
ChEMBL: CHEMBL403727
InChI Key: YDCNYSQITCUGST-FEFKUCBWSA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CN3)Oc4ccccc4)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
2QMF	Download	Experimental	e2qmfA2 e2qmfA3 e2qmfB2 e2qmfB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot