Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-1
LigandBDBM50091580
Substrate/Competitorn/a
Meas. Tech.ChEMBL_46510
KON 430000 M-1s-1
Citation Talanian, RVBrady, KDCryns, VL Caspases as targets for anti-inflammatory and anti-apoptotic drug discovery. J Med Chem43:3351-71 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Caspase-1
Name:Caspase-1
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:
BDBM50091580
n/a
NameBDBM50091580
Synonyms:3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-5-(3-carbamoyl-naphthalen-2-yloxy)-4-oxo-pentanoic acid | CHEMBL115952
TypeSmall organic molecule
Emp. Form.C32H36N4O9
Mol. Mass.620.6496
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: