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TargetCaspase-1
LigandBDBM10320
Substrate/CompetitorCaspase-1 Fluorogenic Substrate
Meas. Tech.Caspase Inhibition Assay
IC50>20000±n/a nM
Citation Chu, WZhang, JZeng, CRothfuss, JTu, ZChu, YReichert, DEWelch, MJMach, RH N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. J Med Chem48:7637-47 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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
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BDBM10320
NameBDBM10320
Synonyms:(S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | CHEMBL293034 | IST-2 | Isatin Sulfonamide 31 | Pyrrolidine Isatin Analogue 11a
TypeSmall organic molecule
Emp. Form.C20H20N2O5S
Mol. Mass.400.448
SMILESCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Caspase-1 Fluorogenic Substrate
Name:Caspase-1 Fluorogenic Substrate
Synonyms:Ac-YVAD-AMC
Type:n/a
Mol. Mass.:1713.07
Organism:n/a
Description:AMC=7-Amino-4-methylcoumarin
Residue:17
Sequence:
Ac-Tyr-Val-Ala-Asp-AMC