Ligand name: 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one
PDB ligand accession: 32Z
DrugBank: n/a
PubChem: 9948349
ChEMBL: CHEMBL127336
InChI Key: RVOUDNBEIXGHJY-UHFFFAOYSA-N
SMILES: c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=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 Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4TK0	Download	Experimental	e4tk0A1 e4tk0B1 e4tk0C1	ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot