Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62057
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
5770.333333±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 brucei (strain 927/4 GUTat10.1)
Description:
gi_70832125
Residue:
471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGLEGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPKYALEGNATDLFDFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKGFSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVATMISHYFKDPEVQVGVIIGTGSNACYFETASAVTKDPAVAARGSALTPISMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQFTRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDGSVFEKIPSFRRVLQDNINRILGPECDVRAVLAKGGSGVGAALISAIVADGK
  
Inhibitor
Name:
BDBM62057
Synonyms:
4-chloranyl-2-[(4-cyclopropylphenyl)carbonylamino]benzoic acid | 4-chloro-2-[(4-cyclopropylbenzoyl)amino]benzoic acid | 4-chloro-2-[[(4-cyclopropylphenyl)-oxomethyl]amino]benzoic acid | KSC-18-084 | KUC106496N | cid_46856250
Type:
Small organic molecule
Emp. Form.:
C17H14ClNO3
Mol. Mass.:
315.751
SMILES:
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C1CC1
Structure:
Search PDB for entries with ligand similarity: