Ligand Id: 1709
Ligand name 2',3'-ddATP

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 268.1
Molecular weight 475.01
XLogP -4.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Database Links
BindingDB Ligand 50164644
ChEBI CHEBI:423638
ChEMBL Ligand 423638, 295650
DrugBank Ligand DB02189
PubChem CID 65304
RCSB PDB Ligand DDS, DAD
Search on ChemSpider OAKPWEUQDVLTCN-NKWVEPMBSA-N
ZINC ZINC13508937

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