Target
Caspase-1
Ligand
BDBM50176498
Substrate
n/a
Meas. Tech.
ChEMBL_332180 (CHEMBL869995)
Ki
120±n/a nM
Citation
 Fahr, BTO'Brien, TPham, PWaal, NDBaskaran, SRaimundo, BCLam, JWSopko, MMPurkey, HERomanowski, 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:
BDBM50176498
Synonyms:
(S)-4-oxo-3-(2-(5-((4-(quinoxalin-2-ylamino)benzamido)methyl)thiophen-2-yl)acetamido)butanoic acid | CHEMBL202254
Type:
Small organic molecule
Emp. Form.:
C26H23N5O5S
Mol. Mass.:
517.556
SMILES:
OC(=O)C[C@H](NC(=O)Cc1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O
Structure:
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