A20
3-aminopropane-1-sulfonic acid
| Created: | 2012-06-25 |
| Last modified: | 2012-10-26 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
|---|---|
| Name | 3-aminopropane-1-sulfonic acid |
| Systematic Name (OpenEye OEToolkits) | 3-azanylpropane-1-sulfonic acid |
| Formula | C3 H9 N O3 S |
| Molecular Weight | 139.173 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCCN |
| SMILES | CACTVS | 3.370 | NCCC[S](O)(=O)=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)CS(=O)(=O)O |
| Canonical SMILES | CACTVS | 3.370 | NCCC[S](O)(=O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)CS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) |
| InChIKey | InChI | 1.03 | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB06527 |
|---|---|
| Name | Tramiprosate |
| Groups | investigational |
| Synonyms |
|
| Indication | Investigated for use/treatment in strokes and alzheimer's disease. |
| Categories |
|
| CAS number | 3687-18-1 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Amyloid-beta precursor protein | MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNG... | unknown | antagonist |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6991996, 1646 |
| ChEMBL | CHEMBL149082 |
| ChEBI | CHEBI:1457 |
