Ligand name: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine
PDB ligand accession: 0Y2
DrugBank: n/a
PubChem: 70695988
ChEMBL: CHEMBL2018855
InChI Key: FSMQALLDUCWVDV-PISIQOCNSA-N
SMILES: c1ccc2c(c1)c(cs2)CCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)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 P0AEE8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GOO	Download	Experimental	e4gooD1 e4gooE1 e4gooF1	Rossmann-like Rossmann-like Rossmann-like	LigPlot