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
CAS Registry No. 58-64-0 (source: Scifinder)
ChEBI CHEBI:16761
ChEMBL Ligand 114275
Human Metabolome Database HMDB01341
PubChem CID 6022
RCSB PDB Ligand ADP
Search Google for chemical match using the InChIKey XTWYTFMLZFPYCI-KQYNXXCUSA-N
Search Google for chemicals with the same backbone XTWYTFMLZFPYCI
Wikipedia Adenosine_diphosphate
ZINC ZINC12360703

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