Ligand name: (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
PDB ligand accession: NV4
DrugBank: n/a
PubChem: 131632973
ChEMBL: n/a
InChI Key: WBKYKDGMCNMECE-QXHRYPSCSA-N
SMILES: COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)Sc6[nH]cnn6)OCO4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lignans, neolignans and related compounds
    • Class: Lignan lactones
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein F2Z5B2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JCB	Download	Experimental	e5jcbA1 e5jcbA2 e5jcbB1 e5jcbB2 e5jcbC2 e5jcbD1 e5jcbD2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot