Ligand name: 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
PDB ligand accession: AEL
DrugBank: n/a
PubChem: 137700779
ChEMBL: CHEMBL4558162
InChI Key: VFDVYUMIEWOVJX-UHFFFAOYSA-N
SMILES: Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9Y233

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6IJI	Download	Experimental	e6ijiB1	PDEase-like	LigPlot