Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50216416 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_842368 (CHEMBL2091985) |
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IC50 | 3.63±n/a nM |
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Citation | Hasegawa, K; Funatsu, K New description of protein-ligand interactions using a spherical self-organizing map. Bioorg Med Chem20:5410-5 (2012) [PubMed] Article |
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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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BDBM50216416 |
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n/a |
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Name | BDBM50216416 |
Synonyms: | 1-(4-bromo-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione | CHEMBL227036 |
Type | Small organic molecule |
Emp. Form. | C25H22BrN3O5S |
Mol. Mass. | 556.428 |
SMILES | Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |
Structure |
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