Ligand name: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PDB ligand accession: V7Y
DrugBank: DB16296
PubChem: 91933883
ChEMBL: CHEMBL3984425
InChI Key: XUMALORDVCFWKV-IBGZPJMESA-N
SMILES: CC(C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XRL	Download	Experimental	e6xrlA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7JWZ	Download	Experimental	e7jwzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot