Ligand name: (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
PDB ligand accession: 0V0
DrugBank: n/a
PubChem: 85325331
ChEMBL: n/a
InChI Key: LQPNDHUHBKXZAG-UHFFFAOYSA-O
SMILES: CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2
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
4UMU	Download	Experimental	e4umuA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot