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TargetCaspase-3
LigandBDBM10320
Substrate/CompetitorCaspase Fluorogenic Substrate
Meas. Tech.Caspase Inhibition Assay
IC50 30±n/a nM
Citation Lee, DLong, SAMurray, JHAdams, JLNuttall, MENadeau, DPKikly, KWinkler, JDSung, CMRyan, MDLevy, MAKeller, PMDeWolf, WE Potent and selective nonpeptide inhibitors of caspases 3 and 7. J Med Chem44:2015-26 (2001) [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
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  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 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