BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPhosphotransferase
LigandBDBM10515
Substrate/Competitorn/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]
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Phosphotransferase
Name:Phosphotransferase
Synonyms:hexokinase
Type:Enzyme Catalytic Domain
Mol. Mass.:51160.00
Organism:Trypanosoma brucei
Description:gi_70832125
Residue:471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGL
EGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPK
YALEGNATDLFDFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKG
FSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVATMISHYFKDPEVQVGVIIGTGSN
ACYFETASAVTKDPAVAARGSALTPISMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQ
ALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQF
TRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDG
SVFEKIPSFRRVLQDNINRILGPECDVRAVLAKGGSGVGAALISAIVADGK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10515
n/a
NameBDBM10515
Synonyms:5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864 | D,L-Lipoic acid | D,L-Thioctic acid | cid_864 | lipoic acid (LA)
TypeSmall organic molecule
Emp. Form.C8H14O2S2
Mol. Mass.206.326
SMILESOC(=O)CCCCC1CCSS1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: