Ligand name: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
PDB ligand accession: GEK
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VFFTYSZNZJBRBG-HEOPWLPUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[S+](CCC(C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: 5'-deoxy-5'-thionucleosides

List of proteins that are targets for GEK

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P76290_GEK	P76290	n/a
2	A0A087JHK9_GEK	A0A087JHK9	n/a
3	A1AC32_GEK	A1AC32	n/a
4	C3T5M2_GEK	C3T5M2	n/a