Ligand name: 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
PDB ligand accession: EX0
DrugBank: n/a
PubChem: 132077296
ChEMBL: CHEMBL5183721
InChI Key: NHZSWKDFGUWVJJ-SFTDATJTSA-N
SMILES: CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5CC6CC5CN6C)N
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 B3Y653

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6LW0	Download	Experimental	e6lw0B1 e6lw0A2 e6lw0B2 e6lw0A1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot