Ligand name: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
PDB ligand accession: AEO
DrugBank: n/a
PubChem: 2884317
ChEMBL: CHEMBL4435239
InChI Key: AYAUBWSUZRFVQO-UHFFFAOYSA-N
SMILES: c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=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
6IJH	Download	Experimental	e6ijhA1 e6ijhB1	PDEase-like PDEase-like	LigPlot