Ligand name: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
PDB ligand accession: JS1
DrugBank: n/a
PubChem: 40122;44666783;
ChEMBL: CHEMBL1327799
InChI Key: JXUHSUSCLWIKEW-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: 2-arylbenzofuran flavonoids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0A0T9CRX1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5V40	Download	Experimental	e5v40A1 e5v40B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot