Ligand name: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
PDB ligand accession: U1T
DrugBank: n/a
PubChem: 71736280
ChEMBL: n/a
InChI Key: INONXBKKVSBONG-UHFFFAOYSA-N
SMILES: Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4
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
4UVU	Download	Experimental	e4uvuA1 e4uvuB1	ADP-ribosylation ADP-ribosylation	LigPlot