Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61945
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
4437.666667±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:
BDBM61945
Synonyms:
3-oxidanylidene-N-(phenylmethyl)-1,2-benzothiazole-2-carboxamide | 3-oxo-N-(phenylmethyl)-1,2-benzothiazole-2-carboxamide | KSC-6-149 | KUC105337N | N-benzyl-3-keto-1,2-benzothiazole-2-carboxamide | N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide | cid_11231441
Type:
Small organic molecule
Emp. Form.:
C15H12N2O2S
Mol. Mass.:
284.333
SMILES:
O=C(NCc1ccccc1)n1sc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: