Target
Phosphotransferase
Ligand
BDBM34849
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
4572.513179±n/a nM
Citation
 PubChem, PC HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations PubChem Bioassay (2009)[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:
BDBM34849
Synonyms:
6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-one | 6-fluoro-2-(2-methylphenyl)-1,2-benzisothiazol-3(2H)-one | 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | 6-fluoro-2-(o-tolyl)-1,2-benzothiazol-3-one | MLS000729299 | SMR000307577 | cid_1510379
Type:
Small organic molecule
Emp. Form.:
C14H10FNOS
Mol. Mass.:
259.299
SMILES:
Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Structure:
Search PDB for entries with ligand similarity: