Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50602641
Substrate
n/a
Meas. Tech.
ChEMBL_2241719 (CHEMBL5155929)
Ki
0.800000±n/a nM
Citation
 Ulgheri, F; Spanu, P; Deligia, F; Loriga, G; Fuggetta, MP; de Haan, I; Chandgudge, A; Groves, M; Domling, A Design, synthesis and biological evaluation of 1,5-disubstituted ?-amino tetrazole derivatives as non-covalent inflammasome-caspase-1 complex inhibitors with potential application against immune and inflammatory disorders. Eur J Med Chem 229:0 (2022) [PubMed] 
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:
BDBM50602641
Synonyms:
VRT 043198 | Vrt 043198
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O6
Mol. Mass.:
480.942
SMILES:
CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O |r|
Structure:
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