Ligand name: 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
PDB ligand accession: 8WB
DrugBank: n/a
PubChem: 43264
ChEMBL: CHEMBL79720
InChI Key: QIMGSZURBOTPMW-UHFFFAOYSA-N
SMILES: COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbon derivatives
    • Class: Tropones
      • Subclass: None

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
5NG1	Download	Experimental	e5ng1A1 e5ng1A2 e5ng1B1 e5ng1B2 e5ng1C2 e5ng1D1 e5ng1D2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot
5NFZ	Download	Experimental	e5nfzA1 e5nfzA2 e5nfzB1 e5nfzB2 e5nfzC1 e5nfzD1 e5nfzD2	Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot