Ligand name: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
PDB ligand accession: KH3
DrugBank: n/a
PubChem: 50915251
ChEMBL: CHEMBL1290525
InChI Key: XWQXPIOHEBRBJA-UQEZQTQMSA-N
SMILES: CCCCCCNCCN(CCC(C(=O)O)N)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 Q8WTS6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VV0	Download	Experimental	e3vv0A6	beta-clip	LigPlot