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Target
Caspase-1
Ligand
BDBM50072046
Substrate
n/a
Meas. Tech.
ChEMBL_90858 (CHEMBL699294)
IC50
10400±n/a nM
Citation
 Leung, D; Abbenante, G; Fairlie, DP Protease inhibitors: current status and future prospects. J Med Chem 43:305-41 (2000) [PubMed]  Article 
Target
Name:
Caspase-1
Synonyms:
Caspase | Interleukin-1 beta-converting enzyme | Caspase 1 | Interleukin-1 beta convertase | ICE | CASP1_HUMAN | CASP1 | IL1BC | IL1BCE
Type:
Enzyme
Mol. Mass.:
45154.13
Organism:
Human
Description:
P29466
Residue:
404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM50072046
Synonyms:
3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | (S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | CHEMBL329917
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O
Structure:
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