Ligand name: 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
PDB ligand accession: EX3
DrugBank: n/a
PubChem: 132077032
ChEMBL: CHEMBL5196933
InChI Key: RIJUCCOLHSAZPO-GOTSBHOMSA-N
SMILES: CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5CC6CC5CN6C)C

ClassyFire chemical classification:

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

List of proteins that are targets for EX3

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	B3Y653_EX3	B3Y653	n/a