Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62043
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:
BDBM62043
Synonyms:
4-chloranyl-2-[(3-propan-2-ylphenyl)carbonylamino]benzoic acid | 4-chloro-2-[(3-isopropylbenzoyl)amino]benzoic acid | 4-chloro-2-[(3-propan-2-ylbenzoyl)amino]benzoic acid | 4-chloro-2-[[oxo-(3-propan-2-ylphenyl)methyl]amino]benzoic acid | KSC-18-053 | KUC106459N | cid_46846329
Type:
Small organic molecule
Emp. Form.:
C17H16ClNO3
Mol. Mass.:
317.767
SMILES:
CC(C)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Structure:
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