Ligand name: 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE
PDB ligand accession: HFS
DrugBank: DB04707
PubChem: 3064778
ChEMBL: CHEMBL1233300
InChI Key: ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
SMILES: c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2ETK	Download	Experimental	e2etkA1 e2etkB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot