Ligand name: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
PDB ligand accession: C2E
DrugBank: n/a
PubChem: 5287531;6323195;135440063;
ChEMBL: CHEMBL1231573
InChI Key: PKFDLKSEZWEFGL-MHARETSRSA-N
SMILES: c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: (3'->5')-dinucleotides and analogues
      • Subclass: (3'->5')-cyclic dinucleotides and analogues

List of PDB structures and/or AlphaFold models with target protein Q9HY69

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RT1	Download	Experimental	e4rt1A1 e4rt1B1 e4rt1C1	cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4XRN	Download	Experimental	e4xrnA1 e4xrnB1 e4xrnC1 e4xrnD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4RT0	Download	Experimental	e4rt0A1 e4rt0B1 e4rt0C1	cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot