Ligand Id: 1713
Ligand name ATP

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 308.56
Molecular weight 507
XLogP -5.93
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups approved; nutraceutical
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
5'-ATP
adenosine 5' triphosphate
adenosine triphosphate
Adephos
Adetol
ATP4-
Atriphos
Glucobasin
Myotriphos
Striadyne
Triadenyl
Triphosaden
Triphosphaden
Database Links
BindingDB Ligand 2
CAS Registry No. 56-65-5 (source: ChEBI)
ChEBI CHEBI:15422
ChEMBL Ligand 114264
DrugBank Ligand DB00171
Human Metabolome Database HMDB00538
PharmGKB Drug PA164743471
PubChem CID 5957
RCSB PDB Ligand ATP
Search Google for chemical match using the InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Search Google for chemicals with the same backbone ZKHQWZAMYRWXGA
Wikipedia Adenosine_triphosphate
ZINC ZINC18456332

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