Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM62013
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:
BDBM62013
Synonyms:
4-chloranyl-2-(thiophen-3-ylcarbonylamino)benzoic acid | 4-chloro-2-(3-thenoylamino)benzoic acid | 4-chloro-2-(thiophene-3-carbonylamino)benzoic acid | 4-chloro-2-[[oxo(3-thiophenyl)methyl]amino]benzoic acid | KSC-18-007 | KUC105926N | cid_13849638
Type:
Small organic molecule
Emp. Form.:
C12H8ClNO3S
Mol. Mass.:
281.715
SMILES:
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccsc1
Structure:
Search PDB for entries with ligand similarity: