Ligand name: 3-(isoquinolin-7-yl)prop-2-yn-1-ol
PDB ligand accession: 5QM
DrugBank: n/a
PubChem: 78350469
ChEMBL: CHEMBL3355067
InChI Key: WXHANIFKRWTEBS-UHFFFAOYSA-N
SMILES: c1cc(cc2c1ccnc2)C#CCO
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
4UMP	Download	Experimental	e4umpA2 e4umpB2 e4umpC2 e4umpD2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot