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TargetCaspase-3
LigandBDBM10320
Substrate/CompetitorCaspase-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Ki 11±n/a nM
Citation Aulabaugh, AKapoor, BHuang, XDollings, PHum, WTBanker, AWood, AEllestad, G Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Biochemistry46:9462-71 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Caspase-3
Name:Caspase-3
Synonyms:Apopain | CASP-3 | CPP-32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:31607.55
Organism:Homo sapiens (Human)
Description:n/a
Residue:277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Name:Caspase-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Synonyms:Ac-DEVD-AFC | Ac-DEVD-AMC | Fluorometric Tetrapeptide Ac-DEVD-AMC
Type:Peptide
Mol. Mass.:473.41
Organism:n/a
Description:Molecular Mass of DEVD
Residue:4
Sequence:
DEVD