BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-1
LigandBDBM50289399
Substrate/Competitorn/a
Meas. Tech.ChEBML_90985
Ki 40±n/a nM
Citation Semple, GAshworth, DMBaker, GRBatt, ARBaxter, AJBenzies, DWElliot, LHEvans, DFranklin, RJHudson, PJenkins, PDPitt, GRRooker, DPSheppard, ASzelke, MYamamoto, SIsomura, Y PYRIDONE-BASED PEPTIDOMIMETIC INHIBITORS OF INTERLEUKIN-1β-CONVERTING ENZYME (ICE) Bioorg Med Chem Lett7:1337-1342 (1997)    Article
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:
BDBM50289399
n/a
NameBDBM50289399
Synonyms:(S)-3-(2-{6-Ethyl-3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-acetylamino)-4-oxo-5-phenoxy-pentanoic acid | CHEMBL26302
TypeSmall organic molecule
Emp. Form.C31H29N3O7
Mol. Mass.555.5779
SMILESCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: