Ligand name: (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
PDB ligand accession: 89O
DrugBank: n/a
PubChem: 122797
ChEMBL: CHEMBL31929
InChI Key: YVCVYCSAAZQOJI-JHQYFNNDSA-N
SMILES: COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)O)OCO4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lignans, neolignans and related compounds
    • Class: Lignan lactones
      • Subclass: Podophyllotoxins

List of PDB structures and/or AlphaFold models with target protein Q6B856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XLT	Download	Experimental	e5xltA1 e5xltA2 e5xltB1 e5xltB2 e5xltC2 e5xltD1 e5xltD2	Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot