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 Q96P20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PZC	Download	Experimental	e7pzcA2 e7pzcA3 e7pzcA5 e7pzcB2 e7pzcB3 e7pzcB4 e7pzcC2 e7pzcC3 e7pzcC4 e7pzcD2 e7pzcD3 e7pzcD4 e7pzcE2 e7pzcE3 e7pzcE4 e7pzcF2 e7pzcF3 e7pzcF4 e7pzcG2 e7pzcG3 e7pzcG4 e7pzcH2 e7pzcH3 e7pzcH5 e7pzcI2 e7pzcI3 e7pzcI4 e7pzcJ2 e7pzcJ3 e7pzcJ4	P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot
7ALV	Download	Experimental	e7alvA1 e7alvA2 e7alvA3	P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot
8WSM	Download	Experimental	e8wsmA1 e8wsmA2 e8wsmA3	P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot
6NPY	Download	Experimental	e6npyA2 e6npyA3 e6npyA4	P-loop domains-like Histone-like NLRC4 helical domain HD2	LigPlot
8ETR	Download	Experimental	e8etrA1 e8etrA2 e8etrA3	P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot