Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62016
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:
BDBM62016
Synonyms:
4-chloranyl-2-(pyridin-4-ylcarbonylamino)benzoic acid | 4-chloro-2-(pyridine-4-carbonylamino)benzoic acid | 4-chloro-2-[[oxo(pyridin-4-yl)methyl]amino]benzoic acid | 4-chloro-2-isonicotinamido-benzoic acid | KSC-09-193 | KUC105930N | cid_16771558
Type:
Small organic molecule
Emp. Form.:
C13H9ClN2O3
Mol. Mass.:
276.675
SMILES:
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1
Structure:
Search PDB for entries with ligand similarity: