Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62052
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
5410±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:
BDBM62052
Synonyms:
4-chloranyl-2-(naphthalen-2-ylcarbonylamino)benzoic acid | 4-chloro-2-(2-naphthoylamino)benzoic acid | 4-chloro-2-(naphthalene-2-carbonylamino)benzoic acid | 4-chloro-2-[[2-naphthalenyl(oxo)methyl]amino]benzoic acid | KSC-20-021 | KUC106491N | cid_9321758
Type:
Small organic molecule
Emp. Form.:
C18H12ClNO3
Mol. Mass.:
325.746
SMILES:
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: