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 F2RCL8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OAY	Download	Experimental	e4oayA1 e4oayM1 e4oayB1 e4oayN1 e4oayB1 e4oayK1 e4oayR1 e4oayJ1 e4oayD1 e4oayH1 e4oayG1 e4oayE1 e4oayF1	HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH	LigPlot
5KHD	Download	Experimental	e5khdR1 e5khdA1	HTH HTH	LigPlot
5TZF	Download	Experimental	e5tzfJ1 e5tzfB1 e5tzfE1 e5tzfD1 e5tzfE1 e5tzfD1 e5tzfI1 e5tzfI1 e5tzfH1 e5tzfN1 e5tzfM1	HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH HTH	LigPlot
5TZG	Download	Experimental	e5tzgC1 e5tzgA1	HTH HTH	LigPlot
5TZD	Download	Experimental	e5tzdJ1 e5tzdB1 e5tzdB1 e5tzdC1 e5tzdA1	HTH HTH HTH HTH HTH	LigPlot