Ligand name: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
PDB ligand accession: 8CG
DrugBank: DB15143
PubChem: 118414016
ChEMBL: CHEMBL4081711
InChI Key: JKDGKIBAOAFRPJ-ZBINZKHDSA-N
SMILES: CCC1C(NC(=O)C1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC
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 Q9NWZ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5UIU	Download	Experimental	e5uiuA1 e5uiuB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8WTF	Download	Experimental	e8wtfA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot