Reaction Details |
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Target | Trypanothione reductase |
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Ligand | BDBM50087155 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_211810 |
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IC50 | 1100±n/a nM |
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Citation | Salmon-Chemin, L; Lemaire, A; De Freitas, S; Deprez, B; Sergheraert, C; Davioud-Charvet, E Parallel synthesis of a library of 1,4-naphthoquinones and automated screening of potential inhibitors of trypanothione reductase from Trypanosoma cruzi. Bioorg Med Chem Lett10:631-5 (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 |
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
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BDBM50087155 |
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n/a |
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Name | BDBM50087155 |
Synonyms: | 5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-pentanoic acid (3-dibutylamino-propyl)-amide | CHEMBL155801 |
Type | Small organic molecule |
Emp. Form. | C27H40N2O3 |
Mol. Mass. | 440.6181 |
SMILES | CCCCN(CCCC)CCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:17.16| |
Structure |
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