Ligand name: 2-[(3-methylbenzyl)amino]ethanesulfonic acid
PDB ligand accession: IJ1
DrugBank: n/a
PubChem: 66553106;72200946;
ChEMBL: CHEMBL5181961
InChI Key: KFWFDYYSPMOXBY-UHFFFAOYSA-N
SMILES: Cc1cccc(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
4FPK	Download	Experimental	e4fpkA3	beta-propeller-like	LigPlot