Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61944
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
12529±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:
BDBM61944
Synonyms:
2-(3-keto-1,2-benzothiazol-2-yl)acetic acid ethyl ester | 2-(3-oxo-1,2-benzothiazol-2-yl)acetic acid ethyl ester | KSC-09-107 | KUC104555N | cid_15017603 | ethyl 2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanoate | ethyl 2-(3-oxo-1,2-benzothiazol-2-yl)acetate
Type:
Small organic molecule
Emp. Form.:
C11H11NO3S
Mol. Mass.:
237.275
SMILES:
CCOC(=O)Cn1sc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: