Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50291983
Substrate
n/a
Meas. Tech.
ChEMBL_46512 (CHEMBL659306)
KON
252000 M-1s-1
Citation
 Talanian, RV; Brady, KD; Cryns, VL Caspases as targets for anti-inflammatory and anti-apoptotic drug discovery. J Med Chem 43:3351-71 (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:
BDBM50291983
Synonyms:
5-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxy)-3-[(S)-2-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid | 5-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxy)-3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid | CHEMBL279173
Type:
Small organic molecule
Emp. Form.:
C32H37N3O10
Mol. Mass.:
623.6503
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC1=C(Cc2ccccc2)C(=O)OC1 |c:33|
Structure:
Search PDB for entries with ligand similarity: