Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62031
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
5450±n/a nM
Citation
 PubChem, PC Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series PubChem Bioassay (2010)[AID] 
Target
Name:
Phosphotransferase
Synonyms:
hexokinase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51160.00
Organism:
Trypanosoma brucei
Description:
gi_70832125
Residue:
471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGLEGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPKYALEGNATDLFDFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKGFSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVATMISHYFKDPEVQVGVIIGTGSNACYFETASAVTKDPAVAARGSALTPISMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQFTRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDGSVFEKIPSFRRVLQDNINRILGPECDVRAVLAKGGSGVGAALISAIVADGK
  
Inhibitor
Name:
BDBM62031
Synonyms:
4-bromanyl-2-[(4-ethylphenyl)carbonylamino]benzoic acid | 4-bromo-2-[(4-ethylbenzoyl)amino]benzoic acid | 4-bromo-2-[[(4-ethylphenyl)-oxomethyl]amino]benzoic acid | KSC-18-032 | KUC106000N | cid_46839341
Type:
Small organic molecule
Emp. Form.:
C16H14BrNO3
Mol. Mass.:
348.191
SMILES:
CCc1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(O)=O
Structure:
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