Ligand name: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
PDB ligand accession: 2BA
DrugBank: n/a
PubChem: 11158091
ChEMBL: CHEMBL1229884
InChI Key: PDXMFTWFFKBFIN-XPWFQUROSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6ncnc7N)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 Q9KHT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KS7	Download	Experimental	e5ks7A1 e5ks7B1	CBS-domain CBS-domain	LigPlot