Ligand name: 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one
PDB ligand accession: H2W
DrugBank: n/a
PubChem: 76280730
ChEMBL: n/a
InChI Key: YSBUWGJBGQCVAY-UHFFFAOYSA-N
SMILES: c1cc2c(c(c1)F)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
4UVX	Download	Experimental	e4uvxA1 e4uvxB1	ADP-ribosylation ADP-ribosylation	LigPlot