Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43836
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±0 K
Ki
1.00e+5± 1e+3 nM
IC50
4000000±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:
BDBM43836
Synonyms:
Glucosamine derivative, 9 | MLS000580208 | N-(2,5-dimethoxyphenyl)-2-(8-quinolinylsulfonylamino)benzamide | N-(2,5-dimethoxyphenyl)-2-(8-quinolylsulfonylamino)benzamide | N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide | N-(2,5-dimethoxyphenyl)-2-[(8-quinolinylsulfonyl)amino]benzamide | SMR000199740 | cid_1295005
Type:
Small organic molecule
Emp. Form.:
C24H21N3O5S
Mol. Mass.:
463.506
SMILES:
COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
Structure:
Search PDB for entries with ligand similarity: