Ligand name: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
PDB ligand accession: 9TP
DrugBank: DB00444
PubChem: 452548
ChEMBL: CHEMBL452231
InChI Key: NRUKOCRGYNPUPR-QBPJDGROSA-N
SMILES: COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)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 P02768

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4L9Q	Download	Experimental	e4l9qA1 e4l9qB1	Serum albumin-like Serum albumin-like	LigPlot