| Reaction Details |
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 | Report a problem with these data |
| Target | Trypanothione reductase |
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| Ligand | BDBM50352514 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_767157 (CHEMBL1826308) |
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| Ki | 22300±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Trypanothione reductase |
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| Name: | Trypanothione reductase |
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| Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR |
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| Type: | Homodimer; oxidoreductase |
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| Mol. Mass.: | 53868.26 |
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| Organism: | Trypanosoma cruzi |
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| Description: | n/a |
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| Residue: | 492 |
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| Sequence: | MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVP
KKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEG
LEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSN
EAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELT
KQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNA
GVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHT
RVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHS
DGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVK
GEKMEKPSEASL
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| BDBM50352514 |
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| n/a |
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| Name | BDBM50352514 |
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| Synonyms: | CHEMBL1824854 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H29ClN4O3S2 |
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| Mol. Mass. | 581.149 |
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| SMILES | Clc1ccc(cc1)-c1cnc(SCC(=O)CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)n1-c1ccccc1 |
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| Structure | 
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