Ligand name: N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
PDB ligand accession: Z76
DrugBank: n/a
PubChem: 45105274
ChEMBL: CHEMBL1097342
InChI Key: CQQMWBPWYUPVOC-PPESYSCFSA-N
SMILES: Cc1cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC)C)O
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
3LPK	Download	Experimental	e3lpkA2 e3lpkA3 e3lpkB2 e3lpkB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot