Ligand name: (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
PDB ligand accession: 6NL
DrugBank: n/a
PubChem: 119081695
ChEMBL: n/a
InChI Key: IYAYDNORGNGYOF-IZZDOVSWSA-N
SMILES: CC(=Cc1ccc(c(c1)O)OC)C(=O)c2cc3c(c(c2)OC)OCO3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Linear 1,3-diarylpropanoids
      • Subclass: Chalcones and dihydrochalcones

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
5JVD	Download	Experimental	e5jvdA1 e5jvdA2 e5jvdB1 e5jvdB2 e5jvdC1 e5jvdD1 e5jvdD2	Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot