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 Q3UP24

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KXF	Download	Experimental	e4kxfK1 e4kxfK2 e4kxfK4 e4kxfB2 e4kxfB3 e4kxfB4 e4kxfD2 e4kxfD4 e4kxfD7 e4kxfF2 e4kxfF4 e4kxfF7 e4kxfH2 e4kxfH7 e4kxfH9 e4kxfL6 e4kxfL8 e4kxfL9 e4kxfN2 e4kxfN7 e4kxfN9 e4kxfP2 e4kxfP3 e4kxfP4	P-loop domains-like Histone-like NLRC4 helical domain HD2 P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like Histone-like NLRC4 helical domain HD2 P-loop domains-like Histone-like NLRC4 helical domain HD2 P-loop domains-like NLRC4 helical domain HD2 Histone-like NLRC4 helical domain HD2 Histone-like P-loop domains-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot