| Reaction Details |
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 | Report a problem with these data |
| Target | Trypanothione reductase |
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| Ligand | BDBM50170727 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303807 (CHEMBL829028) |
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| pH | 7.5±n/a |
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| Ki | 2000±n/a nM |
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| Comments | extracted |
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| Citation |  Meiering, S; Inhoff, O; Mies, J; Vincek, A; Garcia, G; Kramer, B; Dormeyer, M; Krauth-Siegel, RL Inhibitors of Trypanosoma cruzi trypanothione reductase revealed by virtual screening and parallel synthesis. J Med Chem48:4793-802 (2005) [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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| BDBM50170727 |
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| n/a |
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| Name | BDBM50170727 |
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| Synonyms: | 4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)-diphenyl Ether | CHEMBL372259 |
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| Type | Small organic molecule |
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| Emp. Form. | C42H38N4O5 |
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| Mol. Mass. | 678.7749 |
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| SMILES | COc1cc(ccc1OCc1ccccc1)C(N)=Nc1ccc(Oc2ccc(cc2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)cc1 |w:30.32,18.20| |
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| Structure | 
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