Reaction Details Report a problem with these data
Target
Triosephosphate isomerase
Ligand
BDBM246596
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±0
Temperature
310.15±0 K
IC50
1.00e+5±n/a 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
Synonyms:
TIM | TPI | TPI1 | TPIS_HUMAN | Triose-phosphate isomerase | Triosephosphate isomerase | Triosephosphate isomerase (TIM)
Type:
Enzyme
Mol. Mass.:
30788.11
Organism:
Homo sapiens (Human)
Description:
P60174
Residue:
249
Sequence:
MAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ
  
Inhibitor
Name:
BDBM246596
Synonyms:
TIM inhibitor, 1
Type:
Small organic molecule
Emp. Form.:
C9H8N2OS
Mol. Mass.:
192.238
SMILES:
Cc1ccc(cc1)-c1nsc(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: