Ligand name: 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one
PDB ligand accession: 6BN
DrugBank: n/a
PubChem: 118616826
ChEMBL: n/a
InChI Key: KBXFBLWYHFRQAH-OAHLLOKOSA-N
SMILES: CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)C(C)O)Cl
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
5IJ8	Download	Experimental	e5ij8F1 e5ij8A1 e5ij8A7 e5ij8E1 e5ij8B3 e5ij8B7	beta-propeller-like beta-clip Ezh2 N-terminal domain beta-propeller-like Ezh2 N-terminal domain beta-clip	LigPlot
5IJ7	Download	Experimental	e5ij7E1 e5ij7A1 e5ij7A2 e5ij7F1 e5ij7B1 e5ij7B2	beta-propeller-like Ezh2 N-terminal domain beta-clip beta-propeller-like beta-clip Ezh2 N-terminal domain	LigPlot