Ligand name: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PDB ligand accession: I74
DrugBank: DB16061
PubChem: 91844733
ChEMBL: CHEMBL4297488
InChI Key: YCVGLKWJKIKVBI-MJGOQNOKSA-N
SMILES: CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCC4CCNCC4O
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 P50613

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7B5O	Download	Experimental	e7b5oJ1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7B5Q	Download	Experimental	e7b5qJ1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8P6V	Download	Experimental	e8p6vJ1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot