Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50072046 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_46655 |
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IC50 | 18±n/a nM |
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Citation | Karanewsky, DS; Bai, X; Linton, SD; Krebs, JF; Wu, J; Pham, B; Tomaselli, KJ Conformationally constrained inhibitors of caspase-1 (interleukin-1 beta converting enzyme) and of the human CED-3 homologue caspase-3 (CPP32, apopain). Bioorg Med Chem Lett8:2757-62 (1999) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Caspase-3 |
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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
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BDBM50072046 |
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n/a |
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Name | BDBM50072046 |
Synonyms: | (S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | 3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | CHEMBL329917 |
Type | Small organic molecule |
Emp. Form. | C19H26N4O9S |
Mol. Mass. | 486.496 |
SMILES | CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O |
Structure |
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