Ligand name: pyrazolo-pyrimidine macrocycle
PDB ligand accession: 8GQ
DrugBank: n/a
PubChem: 137348712
ChEMBL: CHEMBL4094351
InChI Key: SABLEOBBNNRHAD-WNJMFGOSSA-N
SMILES: c1c2cc(c3c1CCC(=O)N3)OCC=CCOC4CC(N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5N1V	Download	Experimental	e5n1vA1 e5n1vB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot