Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50282978
Substrate
n/a
Meas. Tech.
ChEBML_91007
Ki
2.7±n/a nM
Citation
 Mjalli, AM; Chapman, KT; MacCoss, M; Thornberry, NA; Peterson, EP Activated ketones as potent reversible inhibitors of interleukin-Iβ converting enzyme Bioorg Med Chem Lett 4:1965-1968 (1994)    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:
BDBM50282978
Synonyms:
3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionylamino}-4-oxo-5-(3-phenyl-propionyloxy)-pentanoic acid | CHEMBL61453
Type:
Small organic molecule
Emp. Form.:
C31H39N3O8
Mol. Mass.:
581.6567
SMILES:
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1
Structure:
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