Ligand name: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
PDB ligand accession: 065
DrugBank: n/a
PubChem: 457409
ChEMBL: CHEMBL178593
InChI Key: HNEIRZJZTYYDES-VPZBFSRCSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5
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 P03367

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7MA1	Download	Experimental	e7ma1B1 e7ma1A1	cradle loop barrel cradle loop barrel	LigPlot
2QD7	Download	Experimental	e2qd7A1 e2qd7B1	cradle loop barrel cradle loop barrel	LigPlot
2QCI	Download	Experimental	e2qciA1 e2qciB1	cradle loop barrel cradle loop barrel	LigPlot
2Z4O	Download	Experimental	e2z4oA1 e2z4oB1	cradle loop barrel cradle loop barrel	LigPlot
2QD6	Download	Experimental	e2qd6A1 e2qd6B1	cradle loop barrel cradle loop barrel	LigPlot
2QD8	Download	Experimental	e2qd8A1 e2qd8B1	cradle loop barrel cradle loop barrel	LigPlot