Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61902
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
4340±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:
BDBM61902
Synonyms:
2-(6-fluoranyl-3-oxidanylidene-1,2-benzothiazol-2-yl)-N-phenyl-ethanamide | 2-(6-fluoro-3-keto-1,2-benzothiazol-2-yl)-N-phenyl-acetamide | 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide | KUC103649N | cid_5301513
Type:
Small organic molecule
Emp. Form.:
C15H11FN2O2S
Mol. Mass.:
302.323
SMILES:
Fc1ccc2c(c1)sn(CC(=O)Nc1ccccc1)c2=O
Structure:
Search PDB for entries with ligand similarity: