Reaction Details Report a problem with these data
Target
Metacaspase-2
Ligand
BDBM50313780
Substrate
n/a
Meas. Tech.
ChEMBL_614949 (CHEMBL1116826)
IC50
>100000±n/a nM
Citation
 Berg, M; Van der Veken, P; Joossens, J; Muthusamy, V; Breugelmans, M; Moss, CX; Rudolf, J; Cos, P; Coombs, GH; Maes, L; Haemers, A; Mottram, JC; Augustyns, K Design and evaluation of Trypanosoma brucei metacaspase inhibitors. Bioorg Med Chem Lett 20:2001-6 (2010) [PubMed]  Article 
Target
Name:
Metacaspase-2
Synonyms:
Metacaspase
Type:
PROTEIN
Mol. Mass.:
37791.17
Organism:
Trypanosoma brucei
Description:
ChEMBL_614949
Residue:
347
Sequence:
MCSLITQLCDAGQLADYVGLGWLNAVSSQPYLVQALGLQPPPRRVDVDAAFRDAEGLHGHQPWVATPLPGRTVRALFIGINYYGTSAALSGCCNDVKQMLATLQKKGLPINEAVILVDEDNFPGRTDQPTRDNIVRYMAWLVKDAKPGDVLFFHYSGHGTQCKSRGDSDEKYDQCIAPVDFQKSGCIVDDDIHKLLFSRLPEKVRLTAVFDCCHSGSIMDLPFTYVCSGGEQASGTPHMKRIREGNDVLGDVMMISGCADEQTSADVKNTATFGTGSTGAGGAATQCITCMLMNNQSLSYGKLLIETRDMLKRKGFKQVPQLSASKAIDLDQTFSLTEMFSVDRSVQ
  
Inhibitor
Name:
BDBM50313780
Synonyms:
(S)-benzyl 2-(4-aminophenyl)-1-cyanoethylcarbamate | CHEMBL1089375
Type:
Small organic molecule
Emp. Form.:
C17H17N3O2
Mol. Mass.:
295.3358
SMILES:
Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C#N)cc1 |r|
Structure:
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