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Target
Caspase-1
Ligand
BDBM50176493
Substrate
n/a
Meas. Tech.
ChEMBL_332180 (CHEMBL869995)
Ki
4±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:
Homo sapiens (Human)
Description:
P29466
Residue:
404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM50176493
Synonyms:
(S)-3-((S)-2-((S)-3-methyl-2-(4-(quinoxalin-2-ylamino)benzamido)butanamido)propanamido)-4-oxobutanoic acid | CHEMBL202151
Type:
Small organic molecule
Emp. Form.:
C27H30N6O6
Mol. Mass.:
534.5637
SMILES:
CC(C)[C@H](NC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Structure:
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