Ligand name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: KS1
DrugBank: DB08052
PubChem: 24905142
ChEMBL: CHEMBL1081312
InChI Key: NVRXTLZYXZNATH-UHFFFAOYSA-N
SMILES: c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of PDB structures and/or AlphaFold models with target protein Q9BYP7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5O2B	Download	Experimental	e5o2bA1 e5o2bB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot