Ligand name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
PDB ligand accession: LOC
DrugBank: DB01394
PubChem: 6167
ChEMBL: CHEMBL107
InChI Key: IAKHMKGGTNLKSZ-INIZCTEOSA-N
SMILES: CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)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 D0VWY9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X1K	Download	Experimental	e4x1kA1 e4x1kA2 e4x1kB1 e4x1kB2 e4x1kC2 e4x1kD1 e4x1kD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot
4X1Y	Download	Experimental	e4x1yA1 e4x1yA2 e4x1yB1 e4x1yB2 e4x1yC1 e4x1yD1 e4x1yD2	Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot
4X1I	Download	Experimental	e4x1iA1 e4x1iA2 e4x1iB1 e4x1iB2 e4x1iC1 e4x1iD1 e4x1iD2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot
4X20	Download	Experimental	e4x20A1 e4x20A2 e4x20B1 e4x20B2 e4x20C1 e4x20D1 e4x20D2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot
5MIO	Download	Experimental	e5mioA1 e5mioA2 e5mioB1 e5mioB2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot
3UT5	Download	Experimental	e3ut5B3 e3ut5B4 e3ut5A3 e3ut5A4 e3ut5D3 e3ut5D4 e3ut5C4	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like	LigPlot
5EYP	Download	Experimental	e5eypA1 e5eypA2 e5eypB1 e5eypB2	Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot