Ligand name: 5-amino-3-ethylisoquinolin-1(2H)-one
PDB ligand accession: NGJ
DrugBank: n/a
PubChem: 71769159
ChEMBL: CHEMBL2414051
InChI Key: RCAAJXYONDUGJS-UHFFFAOYSA-N
SMILES: CCC1=Cc2c(cccc2N)C(=O)N1
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
4UVP	Download	Experimental	e4uvpA1 e4uvpB1 e4uvpC1 e4uvpD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot