Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM46667
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
6801.964494±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:
BDBM46667
Synonyms:
2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-benzothiazol-3-one (1) | MLS-0107957.0001 | acs.jmedchem.1c00409_ST.178 | cid_164981
Type:
Small organic molecule
Emp. Form.:
C13H9NOS
Mol. Mass.:
227.282
SMILES:
O=c1n(sc2ccccc12)-c1ccccc1
Structure:
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