Ligand name: ADENOSINE-5'-DIPHOSPHATE
PDB ligand accession: ADP
DrugBank: DB16833
PubChem: 6022
ChEMBL: CHEMBL14830
InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8IIS0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KO5	Download	Experimental	e3ko5A1 e3ko5B1 e3ko5B1 e3ko5C1 e3ko5D1	DTD-like DTD-like DTD-like DTD-like DTD-like	LigPlot
3KO4	Download	Experimental	e3ko4A1 e3ko4B1 e3ko4C1 e3ko4D1 e3ko4E1 e3ko4F1 e3ko4C1 e3ko4D1	DTD-like DTD-like DTD-like DTD-like DTD-like DTD-like DTD-like DTD-like	LigPlot
3KO3	Download	Experimental	e3ko3C1 e3ko3D1 e3ko3E1	DTD-like DTD-like DTD-like	LigPlot