Ligand name: 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one
PDB ligand accession: NYJ
DrugBank: n/a
PubChem: 76281254
ChEMBL: n/a
InChI Key: GRSACGLQNOTJPL-UHFFFAOYSA-N
SMILES: Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

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
4UVW	Download	Experimental	e4uvwA1 e4uvwB1	ADP-ribosylation ADP-ribosylation	LigPlot