Reaction Details |
| Report a problem with these data |
Target | Trypanothione reductase |
---|
Ligand | BDBM50352510 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_767157 (CHEMBL1826308) |
---|
Ki | 13100±n/a nM |
---|
Citation | Maccari, G; Jaeger, T; Moraca, F; Biava, M; Flohé, L; Botta, M A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase. Bioorg Med Chem Lett21:5255-8 (2011) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Trypanothione reductase |
---|
Name: | Trypanothione reductase |
Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR |
Type: | Homodimer; oxidoreductase |
Mol. Mass.: | 53868.26 |
Organism: | Trypanosoma cruzi |
Description: | n/a |
Residue: | 492 |
Sequence: | MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVP
KKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEG
LEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSN
EAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELT
KQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNA
GVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHT
RVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHS
DGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVK
GEKMEKPSEASL
|
|
|
BDBM50352510 |
---|
n/a |
---|
Name | BDBM50352510 |
Synonyms: | CHEMBL1824849 |
Type | Small organic molecule |
Emp. Form. | C22H22N4OS2 |
Mol. Mass. | 422.566 |
SMILES | CCn1c(SCC(=O)Nc2sc3CCCCc3c2C#N)ncc1-c1ccccc1 |
Structure |
|