Ligand name: (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
PDB ligand accession: 5B5
DrugBank: n/a
PubChem: 89880571
ChEMBL: n/a
InChI Key: FXVKEZICEPPSOS-BSEVETGLSA-N
SMILES: CCNC1COC2C1C(CCO2)OC(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)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 Q8Q3H0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5DGW	Download	Experimental	e5dgwA1 e5dgwB1	cradle loop barrel cradle loop barrel	LigPlot