Ligand name: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE
PDB ligand accession: M77
DrugBank: DB08162
PubChem: 3547
ChEMBL: CHEMBL38380
InChI Key: NGOGFTYYXHNFQH-UHFFFAOYSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
Drug action: inhibitor

ClassyFire chemical classification:

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

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
2ESM	Download	Experimental	e2esmA1 e2esmB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot