Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61952
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
7291.333333±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:
BDBM61952
Synonyms:
KSC-09-127C | KUC105403N | N-[4-(dimethylamino)phenyl]-2-(3-keto-1,2-benzothiazol-2-yl)acetamide | N-[4-(dimethylamino)phenyl]-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide | N-[4-(dimethylamino)phenyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide | cid_45254015
Type:
Small organic molecule
Emp. Form.:
C17H17N3O2S
Mol. Mass.:
327.401
SMILES:
CN(C)c1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Structure:
Search PDB for entries with ligand similarity: