Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM47024
Substrate
n/a
Meas. Tech.
HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations
IC50
4531.782536±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:
BDBM47024
Synonyms:
(2E,3E)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propionitrile | MLS000536753 | SMR000155710 | cid_11948772
Type:
Small organic molecule
Emp. Form.:
C17H16N2O2S
Mol. Mass.:
312.386
SMILES:
COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O
Structure:
Search PDB for entries with ligand similarity: