Ligand name: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
PDB ligand accession: 52Z
DrugBank: n/a
PubChem: 86576388
ChEMBL: n/a
InChI Key: ASQJDYFICBMIJF-MJLLELGHSA-N
SMILES: CC(C)CN(CC(C(Cc1ccc(cc1)OC)NC(=O)OC2CCOC3C2C(CO3)O)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
5COO	Download	Experimental	e5cooA1 e5cooB1	cradle loop barrel cradle loop barrel	LigPlot