Ligand name: (3aS,4S,7aR)-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: 52U
DrugBank: n/a
PubChem: 50925508
ChEMBL: CHEMBL1651153
InChI Key: JOCIWRMOTYJUAO-AJIIGFCHSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC
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 G0X8E3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5COK	Download	Experimental	e5cokA1 e5cokB1	cradle loop barrel cradle loop barrel	LigPlot