Ligand name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
PDB ligand accession: DN4
DrugBank: n/a
PubChem: 123952;134526963;168314232;
ChEMBL: CHEMBL4757537
InChI Key: QOTXBMGJKFVZRD-HISDBWNOSA-N
SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: (5'->5')-dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q979W2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3WIE	Download	Experimental	e3wieA1 e3wieA2 e3wieC2 e3wieB1 e3wieB2 e3wieD2 e3wieA2 e3wieC1 e3wieC2 e3wieB2 e3wieD1 e3wieD2	GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot