Ligand name: N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
PDB ligand accession: 8BP
DrugBank: n/a
PubChem: 137348699
ChEMBL: n/a
InChI Key: CGULPICMFDDQRH-ZIAGYGMSSA-N
SMILES: CCC(=O)NC1CN(CC1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5UG8	Download	Experimental	e5ug8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot