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Target
Caspase-1
Ligand
BDBM50283339
Substrate
n/a
Meas. Tech.
ChEBML_91005
Ki
>20000±n/a nM
Citation
 Mullican, MD; Lauffer, DJ; Gillespie, RJ; Matharu, SS; Kay, D; Porritt, GM; Evans, PL; Golec, JM; Murcko, MA; Luong, YP; Raybuck, SA; Livingston, DJ The synthesis and evaluation of peptidyl aspartyl aldehydes as inhibitors of ice. Bioorg Med Chem Lett 4:2359-2364 (1994)    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:
BDBM50283339
Synonyms:
(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-N-[(S)-1-((S)-5-oxo-pyrrolidin-3-ylcarbamoyl)-ethyl]-butyramide | CHEMBL80821
Type:
Small organic molecule
Emp. Form.:
C23H33N5O6
Mol. Mass.:
475.538
SMILES:
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1
Structure:
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