Reaction Details |
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Target | Phosphotransferase |
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Ligand | BDBM43829 |
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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 | 1.00e+5± 1e+3 nM |
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IC50 | 6000000±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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BDBM43829 |
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n/a |
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Name | BDBM43829 |
Synonyms: | Glucosamine derivative, 2 | MLS000568543 | SMR000154737 | [4-(2-hydroxyphenyl)-1-piperazinyl]-(2-quinolinyl)methanone | [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-yl-methanone | [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone | [4-(2-hydroxyphenyl)piperazino]-(2-quinolyl)methanone | cid_2454966 |
Type | Small organic molecule |
Emp. Form. | C20H19N3O2 |
Mol. Mass. | 333.3838 |
SMILES | Oc1ccccc1N1CCN(CC1)C(=O)c1ccc2ccccc2n1 |
Structure |
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