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TargetCaspase-3
LigandBDBM10320
Substrate/CompetitorCaspase Fluorogenic Substrate
Meas. Tech.Caspase Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 119.2±17 nM
Citation Chu, WZhang, JZeng, CRothfuss, JTu, ZChu, YReichert, DEWelch, MJMach, RH N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. J Med Chem48:7637-47 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   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
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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 Fluorogenic Substrate
Name:Caspase Fluorogenic Substrate
Synonyms:Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:Peptide
Mol. Mass.:1461.77
Organism:n/a
Description:AMC=7-Amino-4-methylcoumarin
Residue:16
Sequence:
Ac-Asp-Glu-Val-Asp-AMC