Ligand Id: 1712
Ligand name ADP

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 252.22
Molecular weight 427.03
XLogP -4.7
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
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Synonyms
adenosine diphosphate
Database Links
BindingDB Ligand 31995
ChEBI CHEBI:16761
ChEMBL Ligand 696420, 114275, 216289
Human Metabolome Database HMDB01341
PubChem CID 6022
RCSB PDB Ligand ADP
Search on ChemSpider XTWYTFMLZFPYCI-KQYNXXCUSA-N
Wikipedia Adenosine_diphosphate
ZINC ZINC12360703
iPHACE 42169WPC

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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