Ligand name: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one
PDB ligand accession: 4BW
DrugBank: n/a
PubChem: 11181459;135471108;
ChEMBL: CHEMBL4449584
InChI Key: RFCBNSCSPXMEBK-INFSMZHSSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)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
7UNA	Download	Experimental	e7unaA1 e7unaB1 e7unaC1 e7unaD1 e7unaE1 e7unaF1 e7unaG1 e7unaH1	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