Ligand name: 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid
PDB ligand accession: CGK
DrugBank: n/a
PubChem: 137349093
ChEMBL: n/a
InChI Key: DLPJYEOHCQEPAR-IOFPOCHNSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)SC(O5)(CCC(=O)O)O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine nucleotide sugars

List of PDB structures and/or AlphaFold models with target protein Q9NXA8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4F56	Download	Experimental	e4f56A1 e4f56A2 e4f56B1 e4f56B2	Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like	LigPlot