Target
Phosphotransferase
Ligand
BDBM62036
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:
BDBM62036
Synonyms:
4-chloranyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]benzoic acid | 4-chloro-2-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid | 4-chloro-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]benzoic acid | KSC-09-199C | KUC106005N | cid_16772990
Type:
Small organic molecule
Emp. Form.:
C17H16ClNO6
Mol. Mass.:
365.765
SMILES:
COc1cc(cc(OC)c1OC)C(=O)Nc1cc(Cl)ccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: