Reaction Details |
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Target | Phosphotransferase |
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Ligand | BDBM43830 |
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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 | 1.05e+5± 2e+3 nM |
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IC50 | 4500000±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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BDBM43830 |
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n/a |
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Name | BDBM43830 |
Synonyms: | 5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydrazono]propyl]tetrahydrofuran-2-one | 5-(pentoxymethyl)-3-[2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one | 5-(pentoxymethyl)-3-[2-[(4-phenyl-2-thiazolyl)hydrazinylidene]propyl]-2-oxolanone | 5-Pentyloxymethyl-3-{2-[(4-phenyl-thiazol-2-yl)-hydrazono]-propyl}-dihydro-furan-2-one | Glucosamine derivative, 3 | MLS000557649 | SMR000174499 | cid_2865032 |
Type | Small organic molecule |
Emp. Form. | C22H29N3O3S |
Mol. Mass. | 415.549 |
SMILES | CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12| |
Structure |
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