Ligand name: 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one)
PDB ligand accession: C2X
DrugBank: n/a
PubChem: 44475974;135566475;
ChEMBL: n/a
InChI Key: UYGVCRAKTIGHOS-DFLHJNKYSA-N
SMILES: COC1C2C(COP(=O)(OCCCCCCONOP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5CN(CC5COP(=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)OC(C4OC)n8cnc9c8NC(=NC9=O)N)O)OC(C3OC)n2cnc3c2ncnc3N)O)O)OC1n1cnc2c1NC(=NC2=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein Q2QEH4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HIW	Download	Experimental	e3hiwA1 e3hiwB1	RIP/Polo-box domain RIP/Polo-box domain	LigPlot