Ligand name: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
PDB ligand accession: SWY
DrugBank: n/a
PubChem: 2984337
ChEMBL: CHEMBL4303453
InChI Key: RNUXIZKXJOGYQP-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6
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 Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BFP	Download	Experimental	e4bfpA1 e4bfpB1	ADP-ribosylation ADP-ribosylation	LigPlot