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Target
Caspase-1
Ligand
BDBM10535
Substrate
Caspase-1 Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
1030±n/a nM
Citation
 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors. Bioorg Med Chem Lett 15:3886-90 (2005) [PubMed]  Article 
Target
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:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM10535
Synonyms:
(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid | valine aspartyl ketone 14
Type:
Small organic molecule
Emp. Form.:
C29H33BrN2O6S
Mol. Mass.:
617.551
SMILES:
COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
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:
ACTYRVALALAASPAMC