Ligand name: 5-aminoisoquinolin-1(4H)-one
PDB ligand accession: 32X
DrugBank: n/a
PubChem: 11557468
ChEMBL: n/a
InChI Key: UMWAQUVIYVQOLI-UHFFFAOYSA-N
SMILES: c1cc2c(c(c1)N)CC=NC2=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
4PNQ	Download	Experimental	e4pnqA1 e4pnqB1 e4pnqC1	ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot
4UVL	Download	Experimental	e4uvlA1 e4uvlC1	ADP-ribosylation ADP-ribosylation	LigPlot