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 Q8PJX9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LKQ	Download	Experimental	e7lkqA1 e7lkqB1	TIM beta/alpha-barrel cradle loop barrel	LigPlot
4FOJ	Download	Experimental	e4fojA1	TIM beta/alpha-barrel	LigPlot
4FOK	Download	Experimental	e4fokA1	TIM beta/alpha-barrel	LigPlot
4FOU	Download	Experimental	e4fouC1 e4fouA1 e4fouD2 e4fouB1	cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot