Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61977
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:
BDBM61977
Synonyms:
5-chloro-2-(p-anisoylamino)benzoic acid methyl ester | 5-chloro-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester | KSC-6-241 | KUC105709N | cid_45489603 | methyl 5-chloranyl-2-[(4-methoxyphenyl)carbonylamino]benzoate | methyl 5-chloro-2-[(4-methoxybenzoyl)amino]benzoate
Type:
Small organic molecule
Emp. Form.:
C16H14ClNO4
Mol. Mass.:
319.74
SMILES:
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: