Ligand name: (S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
PDB ligand accession: 36A
DrugBank: n/a
PubChem: 49786972;72200337;
ChEMBL: CHEMBL1230055
InChI Key: VGYBDYWAAOWMTJ-SWQDORGXSA-N
SMILES: c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CSCCC(C(=O)O)N)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein C1KBQ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3P8Z	Download	Experimental	e3p8zA1	Rossmann-like	LigPlot