| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Phosphotransferase |
|---|
| Ligand | BDBM43834 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | Inhibition Assay |
|---|
| Temperature | 298.15±0 K |
|---|
| Ki | 2.5e+4± 6e+2 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
|
|
|
|---|
| BDBM43834 |
|---|
| n/a |
|---|
| Name | BDBM43834 |
|---|
| Synonyms: | 2-methoxy-4-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-6-nitrophenol | 2-methoxy-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitro-phenol | 2-methoxy-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitrophenol | 2-methoxy-4-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-6-nitrophenol | 2-methoxy-6-nitro-4-[[4-(p-tolyl)piperazino]methyl]phenol | Glucosamine derivative, 7 | MLS000576050 | SMR000185790 | cid_1375657 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H23N3O4 |
|---|
| Mol. Mass. | 357.4036 |
|---|
| SMILES | COc1cc(CN2CCN(CC2)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O |
|---|
| Structure | 
|
|---|
Search and Browse
