Ligand name: 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine
PDB ligand accession: 62X
DrugBank: n/a
PubChem: 118797898
ChEMBL: n/a
InChI Key: FYXRZDCUJHGULY-URQYDQELSA-N
SMILES: CN(C)CCCN(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 Q9H7B4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HI7	Download	Experimental	e5hi7A1	beta-clip	LigPlot