Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62025
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:
BDBM62025
Synonyms:
4-chloranyl-2-[2-(3-methoxyphenyl)ethanoylamino]benzoic acid | 4-chloro-2-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]benzoic acid | 4-chloro-2-[[2-(3-methoxyphenyl)acetyl]amino]benzoic acid | KSC-18-025 | KUC105994N | cid_45436184
Type:
Small organic molecule
Emp. Form.:
C16H14ClNO4
Mol. Mass.:
319.74
SMILES:
COc1cccc(CC(=O)Nc2cc(Cl)ccc2C(O)=O)c1
Structure:
Search PDB for entries with ligand similarity: