Ligand name: 1-benzyl-1H-indole-2,3-dione
PDB ligand accession: 3AK
DrugBank: n/a
PubChem: 264734
ChEMBL: CHEMBL115581
InChI Key: SIISFRLGYDVIRG-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CN2c3ccccc3C(=O)C2=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P05091

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KWF	Download	Experimental	e4kwfA1 e4kwfA2 e4kwfB1 e4kwfB2 e4kwfE1 e4kwfE2 e4kwfH1 e4kwfH2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot