| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphotransferase |
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| Ligand | BDBM43838 |
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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 | 3.0e+4± 5e+2 nM |
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| IC50 | 3000000±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 |
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| Synonyms: | Hexokinase |
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| Type: | Protein |
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| Mol. Mass.: | 51306.14 |
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| Organism: | Trypanosoma brucei |
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| Description: | Q38C42 |
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| Residue: | 471 |
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| Sequence: | MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGL
EGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPK
YALEGNATDLFGFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKG
FSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVGTLISHYFKDPEVQVGVIIGTGSN
ACYFETASAVTKDPAVAARGSALTPINMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQ
ALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQF
TRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDG
SVFEKIPSFRRVLQDNINRILGPECDVRAVLAKDGSGIGAAFISAMVVNDK
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| BDBM43838 |
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| n/a |
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| Name | BDBM43838 |
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| Synonyms: | 4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate | CMLD004038 | Glucosamine derivative, 11 | MLS000438679 | O4-[5-bromanyl-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate | SMR000452728 | butanedioic acid O4-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester | cid_16759689 | succinic acid O4-[5-bromo-2-cyclopropyl-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C25H24BrNO7 |
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| Mol. Mass. | 530.365 |
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| SMILES | COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| |
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| Structure | 
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