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Target
Caspase-1
Ligand
BDBM50176513
Substrate
n/a
Meas. Tech.
ChEMBL_332180 (CHEMBL869995)
Ki
100±n/a nM
Citation
 Fahr, BT; O'Brien, T; Pham, P; Waal, ND; Baskaran, S; Raimundo, BC; Lam, JW; Sopko, MM; Purkey, HE; Romanowski, MJ Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorg Med Chem Lett 16:559-62 (2005) [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:
Human
Description:
P29466
Residue:
404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM50176513
Synonyms:
(3S)-4-oxo-3-(6-(4-(pyrazin-2-ylamino)benzamido)-2-(thiophen-2-yl)hexanamido)butanoic acid | CHEMBL382814
Type:
Small organic molecule
Emp. Form.:
C25H27N5O5S
Mol. Mass.:
509.577
SMILES:
OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnccn2)cc1)c1cccs1)C=O
Structure:
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