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 P81947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ITZ	Download	Experimental	e5itzA1 e5itzA2 e5itzB1 e5itzB2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot
5NM5	Download	Experimental	e5nm5A1 e5nm5A2 e5nm5B1 e5nm5B2	Bacillus chorismate mutase-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
4O2B	Download	Experimental	e4o2bA1 e4o2bA2 e4o2bB1 e4o2bB2 e4o2bC2 e4o2bD1 e4o2bD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot