Ligand name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
PDB ligand accession: HQG
DrugBank: n/a
PubChem: 42626433
ChEMBL: n/a
InChI Key: CUNFRFHBHMFVPH-KEOHHSTQSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OP(=O)(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 A3DJX6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6E3A	Download	Experimental	e6e3aA1 e6e3aA2	ADP-ribosylation HTH	LigPlot
6EDE	Download	Experimental	e6edeA1 e6edeA2	ADP-ribosylation HTH	LigPlot