Ligand name: 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
PDB ligand accession: 5WW
DrugBank: n/a
PubChem: 71769170
ChEMBL: CHEMBL2414045
InChI Key: MMTKUKSRLAPBPM-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2
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
4UVO	Download	Experimental	e4uvoA1 e4uvoB1	ADP-ribosylation ADP-ribosylation	LigPlot