Ligand name: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one
PDB ligand accession: 2GQ
DrugBank: n/a
PubChem: 12279888
ChEMBL: n/a
InChI Key: YGHVWKFNYLLGEJ-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C=C(NC2=O)N3CCCC3
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 P55212

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4N7M	Download	Experimental	e4n7mA1 e4n7mB2	Caspase-like Caspase-like	LigPlot
4N6G	Download	Experimental	e4n6gA1 e4n6gB1	Caspase-like Caspase-like	LigPlot
4N7J	Download	Experimental	e4n7jA1 e4n7jB2	Caspase-like Caspase-like	LigPlot