Ligand name: (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
PDB ligand accession: V5V
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL5095233
InChI Key: YQSAUMRQALUWNS-VUCARUFASA-N
SMILES: c1nc2c3c(n1)n(cn3)C4C(C5C(O4)COP(=O)(OC6C(COP(=O)(O5)S)OC(C6F)n7cnc8c7ncnc8NCC=CCN2)S)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein Q86WV6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XF4	Download	Experimental	e6xf4A1 e6xf4B1	STING C-terminal domain STING C-terminal domain	LigPlot
6XF3	Download	Experimental	e6xf3A1 e6xf3B1	STING C-terminal domain STING C-terminal domain	LigPlot