Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-1
LigandBDBM50199759
Substrate/Competitorn/a
Meas. Tech.ChEMBL_441110 (CHEMBL891324)
IC50 3±n/a nM
Citation Wang, YO'Neil, SVWos, JAOppong, KALaufersweiler, MCSoper, DLEllis, CDBaize, MWFancher, ANLu, WSuchanek, MKWang, RLSchwecke, WPCruze, CABuchalova, MBelkin, MDe, BDemuth, TP Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem15:1311-22 (2007) [PubMed]  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:
BDBM50199759
n/a
NameBDBM50199759
Synonyms:CHEMBL411759 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-6-(phenylsulfonamidomethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide
TypeSmall organic molecule
Emp. Form.C30H30N4O8S
Mol. Mass.606.646
SMILESOC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: