Ligand name: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate
PDB ligand accession: IXP
DrugBank: n/a
PubChem: 46880558
ChEMBL: CHEMBL1076638
InChI Key: VWODTBOQFNUCFF-XNSMRCHSSA-N
SMILES: Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)OC4c5cc6c(cc5C(C7C4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6
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 Q05769

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OTJ	Download	Experimental	e4otjA1 e4otjB1 e4otjC1 e4otjD1	Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases	LigPlot