Ligand name: (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid
PDB ligand accession: 9I0
DrugBank: DB01252
PubChem: 121891
ChEMBL: CHEMBL471498
InChI Key: WPGGHFDDFPHPOB-BBWFWOEESA-N
SMILES: c1ccc(cc1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Phenylpropanoic acids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A2VDS4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WIT	Download	Experimental	e7witA2 e7witA4	Type II ABC exporter transmembrane domain fold Type II ABC exporter transmembrane domain fold	LigPlot