Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43272
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
15750.85768±n/a nM
Citation
 PubChem, PC HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations PubChem Bioassay (2009)[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:
BDBM43272
Synonyms:
4-chloranyl-2-[(4-methoxyphenyl)carbonylamino]benzoic acid | 4-chloro-2-(p-anisoylamino)benzoic acid | 4-chloro-2-[(4-methoxybenzoyl)amino]benzoic acid | 4-chloro-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid | MLS000663391 | SMR000300965 | cid_1254149
Type:
Small organic molecule
Emp. Form.:
C15H12ClNO4
Mol. Mass.:
305.713
SMILES:
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: