Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43833
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±0 K
Ki
8e+3± 2e+2 nM
IC50
2000000±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:
BDBM43833
Synonyms:
2-hydroxy-N''''-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide | 2-hydroxy-N''-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide | 2-hydroxy-N'-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide | Glucosamine derivative, 6 | MLS000576033 | N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-2-hydroxybenzohydrazide | N''''-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-2-oxidanyl-benzohydrazide | N''''-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-2-hydroxybenzohydrazide | N''''-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-hydroxybenzohydrazide | SMR000185773 | cid_749340
Type:
Small organic molecule
Emp. Form.:
C15H18N2O3
Mol. Mass.:
274.315
SMILES:
CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O |c:6|
Structure:
Search PDB for entries with ligand similarity: