Molecular Details
DICL_CP_0307421
- 2-aminoethanesulfonic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307421
PubChem CID
Molecular Formula
C2H7NO3S Molecular Weight
125.149 g/mol
Synonyms/Alias
[taurine; 2-aminoethanesulfonic acid; 107-35-7; Ethanesulfonic acid; 2-amino-; tauphon; L-Taurine; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; O-Due; taufon; 2-aminoethane-1-sulfonic acid; aminoethy...
InChI Key
XOAAWQZATWQOTB-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
IUPAC Name
2-aminoethanesulfonic acid
CAS Number
144650-95-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
14 13 0 0 0 0 0 0 0 0999 V2000
-1.0205 0.0503 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0321 -0.4219 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.061...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-2
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 481000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−60 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
F174, F223, common binding region on αH1 and αH2 subunits
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
2
logP
-1.1671
Complexity
25.47
TPSA (Ų)
80.39
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
0