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 Q7SSI0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S54	Download	Experimental	e3s54B1 e3s54A1	cradle loop barrel cradle loop barrel	LigPlot
3S53	Download	Experimental	e3s53A1 e3s53B1 e3s53B1	cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
5E5J	Download	Experimental	e5e5jA1 e5e5jB1	cradle loop barrel cradle loop barrel	LigPlot