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 A0A2T5Y4G4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7UN9	Download	Experimental	e7un9A1 e7un9B1 e7un9C1 e7un9D1 e7un9I1 e7un9J1 e7un9E1 e7un9F1 e7un9K1 e7un9L1	STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain	LigPlot
7UN8	Download	Experimental	e7un8A1 e7un8B1 e7un8C1 e7un8D1 e7un8E1 e7un8F1	STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain STING C-terminal domain	LigPlot