Ligand name: (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
PDB ligand accession: HR4
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: HQPHMVRGPVFPCD-BVGSDMBWSA-N
SMILES: c1cc(ccc1CSc2nc3c(ncnc3n2C4C(C5C(O4)COP(=O)(O5)S)O)N)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Nucleoside and nucleotide analogues
      • Subclass: 3',5'-cyclic purine nucleoside phosphorothioates

List of PDB structures and/or AlphaFold models with target protein Q9EQZ6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MH0	Download	Experimental	e4mh0E1 e4mh0E2	Repetitive alpha hairpins jelly-roll	LigPlot