Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62003
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
25000±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:
BDBM62003
Synonyms:
3-(4-chlorophenyl)-3-(p-anisoylamino)propionic acid | 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid | 3-(4-chlorophenyl)-3-[(4-methoxyphenyl)carbonylamino]propanoic acid | 3-(4-chlorophenyl)-3-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid | KSC-6-285 | KUC105915N | cid_2947012
Type:
Small organic molecule
Emp. Form.:
C17H16ClNO4
Mol. Mass.:
333.766
SMILES:
COc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(Cl)cc1
Structure:
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