Ligand name: N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
PDB ligand accession: 916
DrugBank: n/a
PubChem: 72200932
ChEMBL: n/a
InChI Key: YLIBYDKWVPKMKX-RJGXRXQPSA-N
SMILES: CC(=O)NC(Cc1ccccc1)C(CNC2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O
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
4EXG	Download	Experimental	e4exgA2 e4exgA3	cradle loop barrel cradle loop barrel	LigPlot