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

ClassyFire chemical classification:

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

List of proteins that are targets for 47W

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q14680_47W	Q14680	n/a