Ligand name: 5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE
PDB ligand accession: 5NN
DrugBank: n/a
PubChem: 71769164
ChEMBL: CHEMBL2414043
InChI Key: RGSDXZQBZQATQJ-UHFFFAOYSA-N
SMILES: c1ccc(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
4UVZ	Download	Experimental	e4uvzA1 e4uvzC1	ADP-ribosylation ADP-ribosylation	LigPlot