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 A0A5P2ALW6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7U3A	Download	Experimental	e7u3aA3 e7u3aB1 e7u3aB2 e7u3aA1 e7u3aA2 e7u3aA3 e7u3aB3 e7u3aC2 e7u3aD1 e7u3aD3 e7u3aC1 e7u3aC3 e7u3aD2	Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich	LigPlot
7U3B	Download	Experimental	e7u3bC1 e7u3bH1 e7u3bH2 e7u3bF1 e7u3bD1 e7u3bD3 e7u3bE2 e7u3bE3 e7u3bI2 e7u3bI3 e7u3bF2 e7u3bF3 e7u3bD2 e7u3bG1 e7u3bG2 e7u3bJ2 e7u3bJ3 e7u3bC2 e7u3bC3 e7u3bH3 e7u3bE1 e7u3bE3 e7u3bI1 e7u3bG1 e7u3bG2 e7u3bG3 e7u3bJ1	Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich	LigPlot
7U3D	Download	Experimental	e7u3dA2 e7u3dF1 e7u3dF2 e7u3dA1 e7u3dA3 e7u3dF3 e7u3dB1 e7u3dC2 e7u3dC3 e7u3dB2 e7u3dB3 e7u3dC1	Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich	LigPlot