Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43835
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±0 K
Ki
2.8e+3± 1e+2 nM
IC50
500000±0.0 nM
Citation
 Willson, M; Sanejouand, YH; Perie, J; Hannaert, V; Opperdoes, F Sequencing, modeling, and selective inhibition of Trypanosoma brucei hexokinase. Chem Biol 9:839-47 (2002) [PubMed]  Article 
Target
Name:
Phosphotransferase
Synonyms:
Hexokinase
Type:
Protein
Mol. Mass.:
51306.14
Organism:
Trypanosoma brucei
Description:
Q38C42
Residue:
471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGLEGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPKYALEGNATDLFGFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKGFSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVGTLISHYFKDPEVQVGVIIGTGSNACYFETASAVTKDPAVAARGSALTPINMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQFTRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDGSVFEKIPSFRRVLQDNINRILGPECDVRAVLAKDGSGIGAAFISAMVVNDK
  
Inhibitor
Name:
BDBM43835
Synonyms:
Glucosamine derivative, 8 | MLS000582359 | N-cyclohexyl-5-nitro-2-(1-piperidinyl)benzamide | N-cyclohexyl-5-nitro-2-piperidin-1-yl-benzamide | N-cyclohexyl-5-nitro-2-piperidin-1-ylbenzamide | N-cyclohexyl-5-nitro-2-piperidino-benzamide | SMR000200900 | cid_2967968
Type:
Small organic molecule
Emp. Form.:
C18H25N3O3
Mol. Mass.:
331.4094
SMILES:
[O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: