Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50058529
Substrate
n/a
Meas. Tech.
ChEBML_91011
Ki
55±n/a nM
Citation
 Golec, JM; Mullican, MD; Murcko, MA; Wilson, KP; Kay, DP; Jones, SD; Murdoch, R; Bemis, GW; Raybuck, SA; Luong, YP; Livingston, DJ Structure-based design of non-peptidic pyridone aldehydes as inhibitors of interleukin-1β converting enzyme Bioorg Med Chem Lett 7:2181-2186 (1997)    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:
BDBM50058529
Synonyms:
(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid | CHEMBL418144
Type:
Small organic molecule
Emp. Form.:
C20H27N3O8
Mol. Mass.:
437.4437
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Structure:
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