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TargetCaspase-3
LigandBDBM10323
Substrate/Competitorn/a
Meas. Tech.ChEMBL_842368 (CHEMBL2091985)
IC50 12.3±n/a nM
Citation Hasegawa, KFunatsu, K New description of protein-ligand interactions using a spherical self-organizing map. Bioorg Med Chem20:5410-5 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-3
Name:Caspase-3
Synonyms:Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | 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:
BDBM10323
n/a
NameBDBM10323
Synonyms:(S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 1-benzyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | CHEMBL439753 | IST-3 | Isatin Sulfonamide 34 | JMC522188 Compound 2 | Pyrrolidine Isatin Analogue 2
TypeSmall organic molecule
Emp. Form.C26H24N2O5S
Mol. Mass.476.544
SMILESO=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Structure
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