Reaction Details |
| Report a problem with these data |
Target | Trypanothione reductase |
---|
Ligand | BDBM28355 |
---|
Substrate/Competitor | BDBM28342 |
---|
Meas. Tech. | TryR Enzyme Inhibition Assay |
---|
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, 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
|
|
|
BDBM28355 |
---|
BDBM28342 |
---|
Name | BDBM28355 |
Synonyms: | (2S)-2-benzenesulfonamido-N-[2-(phenylsulfanyl)phenyl]propanamide | ZINC00667609, 24 |
Type | Small organic molecule |
Emp. Form. | C21H20N2O3S2 |
Mol. Mass. | 412.525 |
SMILES | C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 |
Structure |
|