Ligand name: N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE
PDB ligand accession: IQB
DrugBank: DB07995
PubChem: 449241
ChEMBL: CHEMBL104264
InChI Key: ZKZXNDJNWUTGDK-NSCUHMNNSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br
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 P17612

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VQH	Download	Experimental	e3vqhA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot