Ligand name: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one
PDB ligand accession: 1YD
DrugBank: n/a
PubChem: 71656177;135566855;
ChEMBL: n/a
InChI Key: RFCBNSCSPXMEBK-OIFWLNRKSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)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 Q3TBT3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4LOK	Download	Experimental	e4lokA1 e4lokB1	STING C-terminal domain STING C-terminal domain	LigPlot