Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM43830
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±0 K
Ki
1.05e+5± 2e+3 nM
IC50
4500000±0.0 nM
Citation
 Willson, M; Sanejouand, YH; Perie, J; Hannaert, V; Opperdoes, F Sequencing, modeling, and selective inhibition of Trypanosoma brucei hexokinase. Chem Biol 9:839-47 (2002) [PubMed]  Article 
Target
Name:
Phosphotransferase
Synonyms:
Hexokinase
Type:
Protein
Mol. Mass.:
51306.14
Organism:
Trypanosoma brucei
Description:
Q38C42
Residue:
471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGLEGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPKYALEGNATDLFGFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKGFSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVGTLISHYFKDPEVQVGVIIGTGSNACYFETASAVTKDPAVAARGSALTPINMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQFTRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDGSVFEKIPSFRRVLQDNINRILGPECDVRAVLAKDGSGIGAAFISAMVVNDK
  
Inhibitor
Name:
BDBM43830
Synonyms:
5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydrazono]propyl]tetrahydrofuran-2-one | 5-(pentoxymethyl)-3-[2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one | 5-(pentoxymethyl)-3-[2-[(4-phenyl-2-thiazolyl)hydrazinylidene]propyl]-2-oxolanone | 5-Pentyloxymethyl-3-{2-[(4-phenyl-thiazol-2-yl)-hydrazono]-propyl}-dihydro-furan-2-one | Glucosamine derivative, 3 | MLS000557649 | SMR000174499 | cid_2865032
Type:
Small organic molecule
Emp. Form.:
C22H29N3O3S
Mol. Mass.:
415.549
SMILES:
CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12|
Structure:
Search PDB for entries with ligand similarity: