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TargetCaspase-1
LigandBDBM50175337
Substrate/Competitorn/a
Meas. Tech.ChEMBL_326950 (CHEMBL860329)
IC50 1±n/a nM
Citation O'Neil, SVWang, YLaufersweiler, MCOppong, KASoper, DLWos, JAEllis, CDBaize, MWBosch, GKFancher, ANLu, WSuchanek, MKWang, RLDe, BDemuth, TP Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors. Bioorg Med Chem Lett15:5434-8 (2005) [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
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  Blast E-value cutoff:
BDBM50175337
n/a
NameBDBM50175337
Synonyms:(4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)-7-(isoquinoline-1-carboxamido)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-2(6H)-carboxylate | CHEMBL199492
TypeSmall organic molecule
Emp. Form.C33H33N5O8
Mol. Mass.627.6438
SMILESOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
Structure
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