Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50284733
Substrate
n/a
Meas. Tech.
ChEBML_90989
KON
4500 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:
BDBM50284733
Synonyms:
3-Allyloxycarbonylamino-5-(3-cyano-naphthalen-2-yloxy)-4-oxo-pentanoic acid | CHEMBL29601
Type:
Small organic molecule
Emp. Form.:
C20H18N2O6
Mol. Mass.:
382.3667
SMILES:
OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C#N
Structure:
Search PDB for entries with ligand similarity: