Target
Phosphotransferase
Ligand
BDBM43831
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±0 K
Ki
1.14e+5± 4e+3 nM
IC50
1800000±0.0 nM
Citation
 Willson, MSanejouand, YHPerie, JHannaert, VOpperdoes, 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:
BDBM43831
Synonyms:
5-(4-fluorobenzyl)-4-keto-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester | 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester | Glucosamine derivative, 4 | MLS000326913 | SMR000179467 | cid_1475682 | methyl 5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate | methyl 5-[(4-fluorophenyl)methyl]-4-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate | methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C15H14FN3O3
Mol. Mass.:
303.2884
SMILES:
COC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCn2n1
Structure:
Search PDB for entries with ligand similarity: