| Reaction Details |
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 | Report a problem with these data |
| Target | Trypanothione reductase |
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| Ligand | BDBM50070274 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_211813 |
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| IC50 | >60000±n/a nM |
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| Citation |  Girault, S; Davioud-Charvet, E; Salmon, L; Berecibar, A; Debreu, MA; Sergheraert, C Structure-activity relationships in 2-aminodiphenylsulfides against trypanothione reductase from Trypanosoma cruzi. Bioorg Med Chem Lett8:1175-80 (1999) [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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| BDBM50070274 |
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| n/a |
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| Name | BDBM50070274 |
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| Synonyms: | CHEMBL17312 | Pentanedioic acid (adamantan-1-ylmethyl)-amide (3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenyl)-amide |
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| Type | Small organic molecule |
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| Emp. Form. | C36H48BrN5O3S |
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| Mol. Mass. | 710.767 |
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| SMILES | CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)CC1 |THB:41:33:39.38.40:36,41:39:33.42.34:36| |
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| Structure | 
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