Ligand name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
PDB ligand accession: 6TX
DrugBank: n/a
PubChem: 137348524
ChEMBL: n/a
InChI Key: KYMSHJLROPBLLU-UHFFFAOYSA-O
SMILES: CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P25321

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YQJ	Download	Experimental	e6yqjA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5LCR	Download	Experimental	e5lcrA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot