Ligand Id: 2379
Ligand name taurine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 88.77
Molecular weight 125.01
XLogP -1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Suppliers
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
2-aminoethanesulfonic acid
International Nonproprietary Names
INN number INN
6171 taurine
Database Links
CAS Registry No. 107-35-7 (source: DrugBank)
ChEBI CHEBI:15891
ChEMBL Ligand 507393
DrugBank Ligand DB01956
Human Metabolome Database HMDB00251
PharmGKB Drug PA451590
PubChem CID 1123
RCSB PDB Ligand TAU
Search Google for chemical match using the InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XOAAWQZATWQOTB
Search PubMed clinical trials taurine
Search PubMed titles taurine
Search PubMed titles/abstracts taurine
Wikipedia Taurine
ZINC ZINC03809490

Contact us | Print | Back to top | Help