Reaction Details |
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Target | Phosphotransferase |
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Ligand | BDBM43835 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Temperature | 298.15±0 K |
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Ki | 2.8e+3± 1e+2 nM |
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IC50 | 500000±0.0 nM |
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Citation | Willson, M; Sanejouand, YH; Perie, J; Hannaert, V; Opperdoes, F Sequencing, modeling, and selective inhibition of Trypanosoma brucei hexokinase. Chem Biol9:839-47 (2002) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Phosphotransferase |
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Name: | Phosphotransferase |
Synonyms: | Hexokinase |
Type: | Protein |
Mol. Mass.: | 51306.14 |
Organism: | Trypanosoma brucei |
Description: | Q38C42 |
Residue: | 471 |
Sequence: | MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGL
EGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPK
YALEGNATDLFGFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKG
FSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVGTLISHYFKDPEVQVGVIIGTGSN
ACYFETASAVTKDPAVAARGSALTPINMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQ
ALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQF
TRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDG
SVFEKIPSFRRVLQDNINRILGPECDVRAVLAKDGSGIGAAFISAMVVNDK
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BDBM43835 |
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n/a |
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Name | BDBM43835 |
Synonyms: | Glucosamine derivative, 8 | MLS000582359 | N-cyclohexyl-5-nitro-2-(1-piperidinyl)benzamide | N-cyclohexyl-5-nitro-2-piperidin-1-yl-benzamide | N-cyclohexyl-5-nitro-2-piperidin-1-ylbenzamide | N-cyclohexyl-5-nitro-2-piperidino-benzamide | SMR000200900 | cid_2967968 |
Type | Small organic molecule |
Emp. Form. | C18H25N3O3 |
Mol. Mass. | 331.4094 |
SMILES | [O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1 |
Structure |
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