Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43834
Substrate
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 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:
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 PDB for entries with ligand similarity: