Target

Ligand

Substrate

Meas. Tech.

Enzyme Inhibition Assay

pH

7.4±n/a

Temperature

310.15±n/a K

Citation

 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. J Med Chem 52:2188-91 (2009) [PubMed]  Article Copy BDB DOI

More Info.:

Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method

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

Blast this sequence in BindingDB or PDB

  
Blast E-value cutoff:

Name:

BDBM29575

Synonyms:

isatin Michael acceptor (IMA) analogue, 12a

Type:

Small organic molecule

Emp. Form.:

C22H18N4O4S

Mol. Mass.:

434.468

SMILES:

O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1

Structure:

Search PDB for entries with ligand similarity:

Similarity to this molecule at least:

Name:

Caspase-1 Substrate

Synonyms:

N-acetyl-Tyr-Val-Ala-Asp-AMC (7-amino-4-methylcoumarin)

Type:

Fluorogenic Substrate

Mol. Mass.:

945.11

Organism:

n/a

Description:

n/a

Residue:

9

Sequence:

ACYVADAMC