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 Q9Y230

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3UK6	Download	Experimental	e3uk6A1 e3uk6A2 e3uk6B1 e3uk6B2 e3uk6C1 e3uk6C2 e3uk6D1 e3uk6D2 e3uk6E1 e3uk6E2 e3uk6F1 e3uk6F2 e3uk6G1 e3uk6G2 e3uk6H1 e3uk6H2 e3uk6I2 e3uk6I1 e3uk6J1 e3uk6J2 e3uk6K1 e3uk6K2 e3uk6L1 e3uk6L2	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6QI9	Download	Experimental	e6qi9E1 e6qi9E2 e6qi9F1 e6qi9F2	P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
7OLE	Download	Experimental	e7oleA2 e7oleB2 e7oleB3 e7oleD1 e7oleD3 e7oleF1 e7oleF3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
7ZI4	Download	Experimental	e7zi4B3 e7zi4B1 e7zi4B3 e7zi4D3 e7zi4D2 e7zi4D3 e7zi4F3 e7zi4F2 e7zi4F3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
6HTS	Download	Experimental	e6htsB3 e6htsB2 e6htsB3 e6htsD3 e6htsD2 e6htsD3 e6htsF3 e6htsF2 e6htsF3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
5OAF	Download	Experimental	e5oafA1 e5oafA3 e5oafB2 e5oafC2 e5oafB1 e5oafB2 e5oafC2 e5oafC3 e5oafD3 e5oafE1 e5oafE3 e5oafD2 e5oafD3 e5oafF3 e5oafE1 e5oafE3 e5oafF2 e5oafF3 e5oafA1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
6FO1	Download	Experimental	e6fo1C2 e6fo1C3 e6fo1E1 e6fo1E2 e6fo1D1 e6fo1D2 e6fo1E1 e6fo1E2 e6fo1F1 e6fo1F2	Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
6QI8	Download	Experimental	e6qi8D1 e6qi8D2 e6qi8E1 e6qi8E2 e6qi8F1 e6qi8F2	Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot