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 Q99UY8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HB9	Download	Experimental	e3hb9A2 e3hb9A4 e3hb9C7 e3hb9C8	Protein kinase/SAICAR synthase/ATP-grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid Protein kinase/SAICAR synthase/ATP-grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
4HNU	Download	Experimental	e4hnuA2 e4hnuA6	Protein kinase/SAICAR synthase/ATP-grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
4HNT	Download	Experimental	e4hntA1 e4hntA3	Protein kinase/SAICAR synthase/ATP-grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
3HBL	Download	Experimental	e3hblC7 e3hblC8	Protein kinase/SAICAR synthase/ATP-grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
4HNV	Download	Experimental	e4hnvA6 e4hnvA7	alpha/beta-Hammerhead/Barrel-sandwich hybrid Protein kinase/SAICAR synthase/ATP-grasp	LigPlot