Ligand name: N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
PDB ligand accession: 74A
DrugBank: n/a
PubChem: 45105269
ChEMBL: CHEMBL1097318
InChI Key: ZJLWDMHHAMNWRK-QAXCHELISA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CN(CCN3)C(=O)c4ccccc4)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
3LNK	Download	Experimental	e3lnkA2 e3lnkA3 e3lnkB2 e3lnkB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot