Ligand name: 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate
PDB ligand accession: YBN
DrugBank: n/a
PubChem: 70678410
ChEMBL: CHEMBL2312449
InChI Key: GEVWCNOQZDSSIG-UHFFFAOYSA-N
SMILES: COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4
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
4BBH	Download	Experimental	e4bbhA1 e4bbhA2 e4bbhB3 e4bbhB2 e4bbhC1 e4bbhC2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot