Ligand name: 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
PDB ligand accession: C23
DrugBank: n/a
PubChem: 60210953
ChEMBL: CHEMBL2171221
InChI Key: ZUAGYVKWPGUWFU-UHFFFAOYSA-N
SMILES: Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzofurans
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A5K1A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4B12	Download	Experimental	e4b12A1 e4b12A2 e4b12B1 e4b12B2 e4b12C3 e4b12C2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot