Reaction Details Report a problem with these data
Target
Triosephosphate isomerase, glycosomal
Ligand
BDBM246598
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±0
Temperature
310.15±0 K
IC50
3.4e+4± 1e+3 nM
Citation
 Alvarez, G; Martínez, J; Aguirre-López, B; Cabrera, N; Pérez-Díaz, L; de Gómez-Puyou, MT; Gómez-Puyou, A; Pérez-Montfort, R; Garat, B; Merlino, A; González, M; Cerecetto, H New chemotypes as Trypanosoma cruzi triosephosphate isomerase inhibitors: a deeper insight into the mechanism of inhibition. J Enzyme Inhib Med Chem 29:198-204 (2014) [PubMed]  Article 
Target
Name:
Triosephosphate isomerase, glycosomal
Synonyms:
TPIS_TRYBB | Triosephosphate isomerase (TIM)
Type:
Enzyme
Mol. Mass.:
26842.10
Organism:
Trypanosoma brucei
Description:
P04789
Residue:
250
Sequence:
MSKPQPIAAANWKCNGSQQSLSELIDLFNSTSINHDVQCVVASTFVHLAMTKERLSHPKFVIAAQNAIAKSGAFTGEVSLPILKDFGVNWIVLGHSERRAYYGETNEIVADKVAAAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVIAYEPVWAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRILYGGSVNGKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ
  
Inhibitor
Name:
BDBM246598
Synonyms:
TIM inhibitor, 3
Type:
Small organic molecule
Emp. Form.:
C22H17N3O5S
Mol. Mass.:
435.452
SMILES:
[#8-]-[#7+](=O)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-c3ccccc3)-[#16]-[#7](-[#6]-c3ccccc3)-[#6]-2=O)o1
Structure:
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