Ligand name: ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
PDB ligand accession: I28
DrugBank: n/a
PubChem: 2129850;4921756;
ChEMBL: CHEMBL4063356
InChI Key: YDARBKORYFGQMH-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4
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
5V3X	Download	Experimental	e5v3xA1 e5v3xB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot