| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Phosphotransferase |
|---|
| Ligand | BDBM43837 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | Inhibition Assay |
|---|
| Temperature | 298.15±0 K |
|---|
| Ki | 7.0e+4± 1e+3 nM |
|---|
| IC50 | 3000000±0.0 nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Solution Info, Assay Method |
|---|
| |
| Phosphotransferase |
|---|
| 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
|
|
|
|---|
| BDBM43837 |
|---|
| n/a |
|---|
| Name | BDBM43837 |
|---|
| Synonyms: | (4S,5R,6R)-1-(2-ethoxy-2-keto-ethyl)-2-keto-6-methyl-4-phenethyl-hexahydropyrimidine-5-carboxylic acid methyl ester | (4S,5R,6R)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylic acid methyl ester | CMLD004122 | Glucosamine derivative, 10 | MLS000438533 | SMR000452888 | cid_16759682 | methyl (4S,5R,6R)-1-(2-ethoxy-2-oxidanylidene-ethyl)-6-methyl-2-oxidanylidene-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate | methyl (4S,5R,6R)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H26N2O5 |
|---|
| Mol. Mass. | 362.4201 |
|---|
| SMILES | CCOC(=O)CN1[C@H](C)[C@@H]([C@H](CCc2ccccc2)NC1=O)C(=O)OC |
|---|
| Structure | 
|
|---|
Search and Browse
