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 Q8I4S1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WWI	Download	Experimental	e2wwiA1 e2wwiB1 e2wwiB1 e2wwiC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
2WWG	Download	Experimental	e2wwgA1 e2wwgB1 e2wwgB1 e2wwgC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
2WWF	Download	Experimental	e2wwfA1 e2wwfB1 e2wwfB1 e2wwfC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot