Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM56538
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:
BDBM56538
Synonyms:
2-[(3-chloranyl-4-methoxy-phenyl)carbonylamino]benzoic acid | 2-[(3-chloro-4-methoxy-benzoyl)amino]benzoic acid | 2-[(3-chloro-4-methoxybenzoyl)amino]benzoic acid | 2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]benzoic acid | MLS000578483 | SMR000198483 | cid_891452
Type:
Small organic molecule
Emp. Form.:
C15H12ClNO4
Mol. Mass.:
305.713
SMILES:
COc1ccc(cc1Cl)C(=O)Nc1ccccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: