Ligand name: N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
PDB ligand accession: ZY2
DrugBank: n/a
PubChem: 49867919
ChEMBL: n/a
InChI Key: UKAHVQYVCSVAKY-BHBYDHKZSA-N
SMILES: CCN1CCN2CCS(=O)(=O)N(c3c2c1cc(c3)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)OC)O)C
Drug action: n/a

ClassyFire chemical classification:

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

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
2WF2	Download	Experimental	e2wf2A2 e2wf2A3	cradle loop barrel cradle loop barrel	LigPlot