Ligand name: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one
PDB ligand accession: CDJ
DrugBank: n/a
PubChem: 71769288
ChEMBL: CHEMBL2414046
InChI Key: WCRSKGPVBGETES-UHFFFAOYSA-N
SMILES: c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl
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
4UVN	Download	Experimental	e4uvnA1 e4uvnB1	ADP-ribosylation ADP-ribosylation	LigPlot