Ligand Id: 1719
Ligand name A3P5PS

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 303.97
Molecular weight 506.99
XLogP -6.42
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)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
Synonyms
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[oxido(sulfonatooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphate
3'-Phosphoadenosine-5'-phosphosulfate
Adenosine-3'-phosphate-5' -phosphosulfate
PAPS
Database Links
ChEBI CHEBI:17980
PubChem CID 10214
RCSB PDB Ligand PPS
Search on ChemSpider GACDQMDRPRGCTN-KQYNXXCUSA-N
Wikipedia 3'-Phosphoadenosine-5'-phosphosulfate
ZINC ZINC12494889

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

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