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 Q8RGE2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q45	Download	Experimental	e6q45C2 e6q45D2 e6q45D3 e6q45F1 e6q45F2 e6q45B2 e6q45K1 e6q45L1 e6q45L3 e6q45J3 e6q45N2 e6q45N3	P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like P-loop domains-like P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like	LigPlot