Ligand name: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
PDB ligand accession: CJD
DrugBank: DB14799
PubChem: 118572065
ChEMBL: CHEMBL4080228
InChI Key: RXCVUHMIWHRLDF-HXUWFJFHSA-N
SMILES: CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)C(C4COC4)OC)Cl)OC
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 G1KPH4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W2R	Download	Experimental	e4w2rA5 e4w2rA6 e4w2rF1 e4w2rB6 e4w2rB7 e4w2rE1	beta-clip Ezh2 N-terminal domain beta-propeller-like Ezh2 N-terminal domain beta-clip beta-propeller-like	LigPlot