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 G1T469

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5IRM	Download	Experimental	e5irmA1 e5irmA2 e5irmA4 e5irmC1 e5irmC2 e5irmC4	P-loop domains-like Histone-like NLRC4 helical domain HD2 NLRC4 helical domain HD2 Histone-like P-loop domains-like	LigPlot
5IRL	Download	Experimental	e5irlA1 e5irlA2 e5irlA3	Histone-like P-loop domains-like NLRC4 helical domain HD2	LigPlot
5IRN	Download	Experimental	e5irnA2 e5irnA3 e5irnA4	Histone-like P-loop domains-like NLRC4 helical domain HD2	LigPlot