Molecular Details
DICL_CP_0307546
- 2-amino-4-sulfanylbutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307546
PubChem CID
Molecular Formula
C4H9NO2S Molecular Weight
135.188 g/mol
Synonyms/Alias
[DL-Homocysteine; 454-29-5; 2-Amino-4-mercaptobutanoic acid; 2-Amino-4-mercaptobutyric acid; 2-amino-4-sulfanylbutanoic acid; D;L-Homocysteine; Homocysteine; dl-; (+-)-Homocysteine; USAF B-12; (+/-)-H...
InChI Key
FFFHZYDWPBMWHY-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
IUPAC Name
2-amino-4-sulfanylbutanoic acid
CAS Number
2922060-79-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 16 0 0 0 0 0 0 0 0999 V2000
0.4865 -0.0127 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0767 1.2190 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2884 0.764...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
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
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
8
Rotatable Bonds
3
logP
-0.2818
Complexity
34.0812
TPSA (Ų)
63.32
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0