Molecular Details
DICL_CP_0307405
- 2-amino-3-sulfanylpropanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307405
PubChem CID
Molecular Formula
C3H7NO2S Molecular Weight
121.161 g/mol
Synonyms/Alias
[DL-Cysteine; 3374-22-9; 2-Amino-3-mercaptopropanoic acid; DL-Cystein; 2-amino-3-sulfanylpropanoic acid; CYSTEINE; DL-; (+/-)-2-Amino-3-mercaptopropionic acid; 150146-94-4; MFCD00004881; 5CM45Q5YAF; L...
InChI Key
XUJNEKJLAYXESH-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
IUPAC Name
2-amino-3-sulfanylpropanoic acid
CAS Number
1356577-86-0
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
1.0842 0.6379 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.2105 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7432 -0.975...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-4
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay (epibatidine)
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
2
logP
-0.6719
Complexity
29.4642
TPSA (Ų)
63.32
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0