Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM34334
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
3099.321232±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:
BDBM34334
Synonyms:
MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)phosphoryl]-1,3-thiazol-2-amine | N-[1,3-benzothiazol-2-yl(phenyl)phosphoryl]-2-thiazolamine | SMR000065625 | [1,3-benzothiazol-2-yl(phenyl)phosphoryl]-thiazol-2-yl-amine | cid_2311082
Type:
Small organic molecule
Emp. Form.:
C16H12N3OPS2
Mol. Mass.:
357.39
SMILES:
O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: