Target
Phosphotransferase
Ligand
BDBM10515
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
200.810233±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:
BDBM10515
Synonyms:
5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864 | D,L-Lipoic acid | D,L-Thioctic acid | cid_864 | lipoic acid (LA)
Type:
Small organic molecule
Emp. Form.:
C8H14O2S2
Mol. Mass.:
206.326
SMILES:
OC(=O)CCCCC1CCSS1
Structure:
Search PDB for entries with ligand similarity: