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Target
Caspase-1
Ligand
BDBM50084633
Substrate
n/a
Meas. Tech.
ChEMBL_90981 (CHEMBL696528)
Ki
1.3±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:
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:
BDBM50084633
Synonyms:
(S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-2-phenyl-acetylamino)-4-oxo-5-phenoxy-pentanoic acid | 3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2,3-dihydro-pyridin-1-yl}-2-phenyl-acetylamino)-4-oxo-5-phenoxy-pentanoic acid | CHEMBL25943
Type:
Small organic molecule
Emp. Form.:
C35H29N3O7
Mol. Mass.:
603.6207
SMILES:
OC(=O)C[C@H](NC(=O)C(c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
Structure:
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