Ligand name: N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
PDB ligand accession: 316
DrugBank: n/a
PubChem: 24808497
ChEMBL: CHEMBL509210
InChI Key: XKXGRRZAMDHVGR-CPCREDONSA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3C(=O)N(CCN3)Cc4ccccc4)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
3CIC	Download	Experimental	e3cicA2 e3cicA3 e3cicB2 e3cicB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot