Ligand name: 2-[(3-methoxybenzyl)amino]ethanesulfonic acid
PDB ligand accession: D8I
DrugBank: n/a
PubChem: 66553105
ChEMBL: n/a
InChI Key: VKBJFTQAAOJIEB-UHFFFAOYSA-N
SMILES: COc1cccc(c1)CNCCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q54727

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FPJ	Download	Experimental	e4fpjA3	beta-propeller-like	LigPlot