Ligand name: ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
PDB ligand accession: I5S
DrugBank: DB07947
PubChem: 5327109
ChEMBL: CHEMBL227381
InChI Key: AUHWQSZMVMMRLM-UHFFFAOYSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl
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 P00517

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JDT	Download	Experimental	e2jdtA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2C1A	Download	Experimental	e2c1aA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot