Ligand name: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
PDB ligand accession: 017
DrugBank: DB01264
PubChem: 213039
ChEMBL: CHEMBL1323
InChI Key: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzenesulfonamides

List of PDB structures and/or AlphaFold models with target protein V5Y949

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Q1X	Download	Experimental	e4q1xA1 e4q1xB1	cradle loop barrel cradle loop barrel	LigPlot
4Q1Y	Download	Experimental	e4q1yA1 e4q1yB1	cradle loop barrel cradle loop barrel	LigPlot
4Q1W	Download	Experimental	e4q1wA1 e4q1wB1	cradle loop barrel cradle loop barrel	LigPlot