Ligand name: 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
PDB ligand accession: 4XB
DrugBank: n/a
PubChem: 60210957
ChEMBL: CHEMBL2171216
InChI Key: MODWRRKHFAUNLX-UHFFFAOYSA-N
SMILES: Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzyloxycarbonyls

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
4B14	Download	Experimental	e4b14A1 e4b14A2 e4b14B1 e4b14B2 e4b14C3 e4b14C2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot