taurine   

GtoPdb Ligand ID: 2379

2D Structure
Click here for structure editor
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
SMILES / InChI / InChIKey
Canonical SMILES NCCS(=O)(=O)O
Isomeric SMILES NCCS(=O)(=O)O
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
References
1. Lynch JW, Rajendra S, Pierce KD, Handford CA, Barry PH, Schofield PR. (1997)
Identification of intracellular and extracellular domains mediating signal transduction in the inhibitory glycine receptor chloride channel.
EMBO J., 16 (1): 110-20. [PMID:9009272]
2. Thwaites DT, Anderson CM. (2011)
The SLC36 family of proton-coupled amino acid transporters and their potential role in drug transport.
Br. J. Pharmacol., 164 (7): 1802-16. [PMID:21501141]