Ligand name: 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-ADP
PDB ligand accession: J7V
DrugBank: n/a
PubChem: 50919258
ChEMBL: n/a
InChI Key: XAOIOCVKONGQFV-ZLFGVDQTSA-N
SMILES: CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC3C(OC(C3O)n4cnc5c4ncnc5N)COP(=O)(O)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine deoxyribonucleotides

List of PDB structures and/or AlphaFold models with target protein P80385

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YA3	Download	Experimental	e2ya3E1 e2ya3E2	CBS-domain CBS-domain	LigPlot