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Target
Caspase-1
Ligand
BDBM12197
Substrate
Caspase-1 Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
Ki
11±n/a nM
Citation
 Shahripour, AB; Plummer, MS; Lunney, EA; Albrecht, HP; Hays, SJ; Kostlan, CR; Sawyer, TK; Walker, NP; Brady, KD; Allen, HJ; Talanian, RV; Wong, WW; Humblet, C Structure-based design of nonpeptide inhibitors of interleukin-1beta converting enzyme (ICE, caspase-1). Bioorg Med Chem 10:31-40 (2002) [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:
BDBM12197
Synonyms:
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]-4-oxo-9-phenylnonanoic acid | tetrapeptide inhibitor 1
Type:
Small Organic Molecule
Emp. Form.:
C34H46N4O8
Mol. Mass.:
638.751
SMILES:
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |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