Reaction Details |
| Report a problem with these data |
Target | Trypanothione reductase |
---|
Ligand | BDBM28351 |
---|
Substrate/Competitor | BDBM28342 |
---|
Meas. Tech. | TryR Enzyme Inhibition Assay |
---|
pH | 7.5±n/a |
---|
Temperature | 295.15±n/a K |
---|
IC50 | >100000±n/a nM |
---|
Citation | Perez-Pineiro, R; Burgos, A; Jones, DC; Andrew, LC; Rodriguez, H; Suarez, M; Fairlamb, AH; Wishart, DS Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors. J Med Chem52:1670-80 (2009) [PubMed] Article |
---|
More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
---|
|
Trypanothione reductase |
---|
Name: | Trypanothione reductase |
Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYBB | Trypanothione Reductase (TryR) |
Type: | Homodimer; oxidoreductase |
Mol. Mass.: | 53285.53 |
Organism: | Trypanosoma brucei brucei |
Description: | n/a |
Residue: | 492 |
Sequence: | MSKIFDLVVIGAGSGGLEAGWNAATLYKKRVAVIDVQTHHGPPHYAALGGTCVNVGCVPK
KLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGL
DFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGVEHCISSNE
AFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTK
QLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVG
VKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHT
RVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHS
DGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYLK
GEKMETLPESSL
|
|
|
BDBM28351 |
---|
BDBM28342 |
---|
Name | BDBM28351 |
Synonyms: | 2-{2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl}-N-[2-(phenylsulfanyl)phenyl]acetamide | ZINC03307332, 16 |
Type | Small organic molecule |
Emp. Form. | C23H25N3O3S |
Mol. Mass. | 423.528 |
SMILES | O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1 |
Structure |
|