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 A6T8V8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GFY	Download	Experimental	e3gfyA1 e3gfyB3	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3GFX	Download	Experimental	e3gfxA3 e3gfxB3	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3GG1	Download	Experimental	e3gg1A3 e3gg1B3	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3GFZ	Download	Experimental	e3gfzA2 e3gfzB3	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3GG0	Download	Experimental	e3gg0A3 e3gg0B3	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot