Ligand name: (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
PDB ligand accession: 575
DrugBank: DB07156
PubChem: 24808489
ChEMBL: CHEMBL263143
InChI Key: JFEKAVPMVOLVTH-UNOMPAQXSA-N
SMILES: c1cc(ccc1CN2CCCC2)NC=C3c4cc(ccc4C(=O)NC3=O)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: 1,3-isoquinolinediones

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P08069

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2ZM3	Download	Experimental	e2zm3A1 e2zm3B1 e2zm3C1 e2zm3D1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot