new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-1
LigandBDBM50058529
Substrate/Competitorn/a
Meas. Tech.ChEBML_91011
Ki 55±n/a nM
Citation Golec JMMullican MDMurcko MAWilson KPKay DPJones SDMurdoch RBemis GWRaybuck SALuong YPLivingston DJ Structure-based design of non-peptidic pyridone aldehydes as inhibitors of interleukin-1β converting enzyme Bioorg Med Chem Lett 7:2181-2186 (1997)    Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-1
Name:Caspase
Synonyms:Caspase 1 | ICE | Interleukin-1 beta convertase | Interleukin-1 beta-converting enzyme
Type:Enzyme
Mol. Mass.:45154.13
Organism:Homo sapiens (Human)
Description:P29466
Residue:404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDS
VIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDN
PAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRT
GAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIR
EGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVG
VSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEY
ACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50058529
n/a
NameBDBM50058529
Synonyms:(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid | CHEMBL418144
TypeSmall organic molecule
Emp. Form.C20H27N3O8
Mol. Mass.437.4437
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: