Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62022
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
10920±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:
BDBM62022
Synonyms:
KSC-6-292 | KUC105991N | N-[5-chloranyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4-methoxy-benzamide | N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methoxy-benzamide | N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methoxybenzamide | cid_16124577
Type:
Small organic molecule
Emp. Form.:
C15H12ClN5O2
Mol. Mass.:
329.741
SMILES:
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1-c1nnn[nH]1
Structure:
Search PDB for entries with ligand similarity: