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 Q3HWC9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OOS	Download	Experimental	e6oosB1 e6oosA1 e6oosD1 e6oosC1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
6OOT	Download	Experimental	e6ootA1 e6ootB1	cradle loop barrel cradle loop barrel	LigPlot