Ligand name: [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium
PDB ligand accession: 76M
DrugBank: n/a
PubChem: 122174241
ChEMBL: n/a
InChI Key: JFKLCPCUECHESR-SNDYUSLUSA-P
SMILES: CC(C)C[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9BYW2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5LSY	Download	Experimental	e5lsyA2	beta-clip	LigPlot