Ligand name: 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
PDB ligand accession: 47W
DrugBank: n/a
PubChem: 85325329
ChEMBL: n/a
InChI Key: SSBLXEABMBMHKV-UHFFFAOYSA-P
SMILES: COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3
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 Q14680

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UMT	Download	Experimental	e4umtA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot