Ligand name: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
PDB ligand accession: Q34
DrugBank: n/a
PubChem: 146672974
ChEMBL: CHEMBL4633548
InChI Key: BNFSVXBSRYHZTB-XCPBYIKRSA-N
SMILES: c1cc(ccc1CN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Cl
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 B4DIJ7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6U9N	Download	Experimental	e6u9nA1 e6u9nB1	beta-clip beta-clip	LigPlot