Ligand name: 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine
PDB ligand accession: Q2V
DrugBank: n/a
PubChem: 146672973
ChEMBL: CHEMBL4638624
InChI Key: VHPRRJZGFMSHQV-JUCHKJSUSA-N
SMILES: c1ccc(cc1)C(CCN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)c6ccccc6
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
6U9K	Download	Experimental	e6u9kA1 e6u9kB1	beta-clip beta-clip	LigPlot