ADPβS

Ligand id: 1755

Name: ADPβS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 267.24
Molecular weight 443.01
XLogP -2.75
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
Synonyms
adenosine 5'-O-(2-thiodiphosphate)
ADPbetaS
Database Links
BindingDB Ligand 50118230
CAS Registry No. 35094-45-2 (source: Scifinder)
ChEMBL Ligand CHEMBL335206
PubChem CID 5310996
RCSB PDB Ligand AT4
Search Google for chemical match using the InChIKey HCIKUKNAJRJFOW-KQYNXXCUSA-N
Search Google for chemicals with the same backbone HCIKUKNAJRJFOW