Ligand name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PDB ligand accession: TAK
DrugBank: DB08597
PubChem: 11524144
ChEMBL: CHEMBL478629
InChI Key: XHBVYDAKJHETMP-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
Drug action: inhibitor

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 Q13131

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JHG	Download	Experimental	e7jhgA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7M74	Download	Experimental	e7m74A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot