Ligand name: 3,4-dihydroisoquinolin-1(2H)-one
PDB ligand accession: JOZ
DrugBank: n/a
PubChem: 150896
ChEMBL: CHEMBL1688212
InChI Key: YWPMKTWUFVOFPL-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)CCNC2=O
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 Q9UPJ8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NUU	Download	Experimental	e3nuuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot