Ligand name: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
PDB ligand accession: AES
DrugBank: DB07347
PubChem: 1701
ChEMBL: CHEMBL1096339
InChI Key: MGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCN)S(=O)(=O)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein D2K8B3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MRS	Download	Experimental	e5mrsA1 e5mrsB1 e5mrsC1 e5mrsD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
6QOY	Download	Experimental	e6qoyA1 e6qoyB1 e6qoyC1 e6qoyD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot