Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMetacaspase-2
LigandBDBM50313771
Substrate/Competitorn/a
Meas. Tech.ChEMBL_614949 (CHEMBL1116826)
IC50 600±n/a nM
Citation Berg, MVan der Veken, PJoossens, JMuthusamy, VBreugelmans, MMoss, CXRudolf, JCos, PCoombs, GHMaes, LHaemers, AMottram, JCAugustyns, K Design and evaluation of Trypanosoma brucei metacaspase inhibitors. Bioorg Med Chem Lett20:2001-6 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Metacaspase-2
Name:Metacaspase-2
Synonyms:Metacaspase
Type:PROTEIN
Mol. Mass.:37791.17
Organism:Trypanosoma brucei
Description:ChEMBL_614949
Residue:347
Sequence:
MCSLITQLCDAGQLADYVGLGWLNAVSSQPYLVQALGLQPPPRRVDVDAAFRDAEGLHGH
QPWVATPLPGRTVRALFIGINYYGTSAALSGCCNDVKQMLATLQKKGLPINEAVILVDED
NFPGRTDQPTRDNIVRYMAWLVKDAKPGDVLFFHYSGHGTQCKSRGDSDEKYDQCIAPVD
FQKSGCIVDDDIHKLLFSRLPEKVRLTAVFDCCHSGSIMDLPFTYVCSGGEQASGTPHMK
RIREGNDVLGDVMMISGCADEQTSADVKNTATFGTGSTGAGGAATQCITCMLMNNQSLSY
GKLLIETRDMLKRKGFKQVPQLSASKAIDLDQTFSLTEMFSVDRSVQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50313771
n/a
NameBDBM50313771
Synonyms:(S)-benzyl 1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-ylcarbamate | CHEMBL1077318
TypeSmall organic molecule
Emp. Form.C21H23N5O3S
Mol. Mass.425.504
SMILES[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: