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 Q9RA63

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FD2	Download	Experimental	e4fd2A1 e4fd2A2 e4fd2B1 e4fd2B2 e4fd2D1 e4fd2D2	Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
4HSE	Download	Experimental	e4hseA1 e4hseA2	Histone-like P-loop domains-like	LigPlot
4FCW	Download	Experimental	e4fcwA1 e4fcwA2 e4fcwC1 e4fcwC2 e4fcwF1 e4fcwF2	Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
4LJ5	Download	Experimental	e4lj5A1 e4lj5A2	Histone-like P-loop domains-like	LigPlot
4FCV	Download	Experimental	e4fcvA1 e4fcvA2 e4fcvB1 e4fcvB2 e4fcvC1 e4fcvC2	P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
4LJ8	Download	Experimental	e4lj8A1 e4lj8A2	P-loop domains-like Histone-like	LigPlot