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 Q8AAN6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R1L	Download	Experimental	e4r1lA1 e4r1lA2 e4r1lA3 e4r1lB1 e4r1lB3 e4r1lB4 e4r1lD1 e4r1lD3 e4r1lD4	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot
4RVO	Download	Experimental	e4rvoA1 e4rvoA3 e4rvoA4 e4rvoB1 e4rvoB3 e4rvoB4 e4rvoC1 e4rvoC3 e4rvoC4 e4rvoD2 e4rvoD3 e4rvoD4	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot