| Reaction Details |
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 | Report a problem with these data |
| Target | Trypanothione reductase |
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| Ligand | BDBM50091162 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_211806 (CHEMBL811878) |
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| Ki | 680±n/a nM |
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| Citation |  Khan, MO; Austin, SE; Chan, C; Yin, H; Marks, D; Vaghjiani, SN; Kendrick, H; Yardley, V; Croft, SL; Douglas, KT Use of an additional hydrophobic binding site, the Z site, in the rational drug design of a new class of stronger trypanothione reductase inhibitor, quaternary alkylammonium phenothiazines. J Med Chem43:3148-56 (2000) [PubMed] |
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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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| BDBM50091162 |
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| n/a |
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| Name | BDBM50091162 |
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| Synonyms: | (4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-propyl]-dimethyl-ammonium (OFK027) | CHEMBL107852 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H34ClN2S |
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| Mol. Mass. | 466.1 |
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| SMILES | CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 |
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| Structure | 
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