Ligand name: 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one
PDB ligand accession: 92R
DrugBank: n/a
PubChem: 91810427
ChEMBL: CHEMBL3764757
InChI Key: GXNFWDRMXAHNFL-UHFFFAOYSA-N
SMILES: CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2
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 O95271

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UW1	Download	Experimental	e4uw1A1 e4uw1B1 e4uw1C1 e4uw1D1 e4uw1E1 e4uw1F1 e4uw1G1 e4uw1H1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot