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Target
Caspase-1
Ligand
BDBM50213208
Substrate
n/a
Meas. Tech.
ChEMBL_90990 (CHEMBL698038)
KON
4.3 M-1s-1
Citation
 Mjalli, AM; Zhao, JJ; Chapman, KT; Thornberry, NA; Peterson, EP; MacCoss, M; Hagmann, WK Inhibition of interleukin-1β converting enzyme by N-acyl-aspartyl aryloxymethyl ketones Bioorg Med Chem Lett 5:1409-1414 (1995)    Article 
Target
Name:
Caspase-1
Synonyms:
CASP1 | CASP1_HUMAN | Caspase | Caspase 1 | ICE | IL1BC | IL1BCE | Interleukin-1 beta convertase | Interleukin-1 beta-converting enzyme
Type:
Enzyme
Mol. Mass.:
45154.13
Organism:
Homo sapiens (Human)
Description:
P29466
Residue:
404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM50213208
Synonyms:
CHEMBL3143890
Type:
Small organic molecule
Emp. Form.:
C32H36N4O9
Mol. Mass.:
620.6496
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O |r|
Structure:
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