Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-1
LigandBDBM160813
Substrate/Competitorn/a
Meas. Tech.Fluorometric Enzymatic Assay
Temperature310.15±n/a K
IC50 500±n/a nM
Commentsextracted
Citation Ahlfors, JMekouar, K Selective caspase inhibitors and uses thereof US Patent US9045524 Publication Date 6/2/2015
More Info.:Get all data from this article,  Assay Method
 
Caspase-1
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:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDS
VIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDN
PAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRT
GAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIR
EGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVG
VSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEY
ACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM160813
n/a
NameBDBM160813
Synonyms:US10167313, Compound 82 | US9045524, 82
TypeSmall organic molecule
Emp. Form.C33H42N4O12S
Mol. Mass.718.771
SMILESCC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: