Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM10347 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_842368 (CHEMBL2091985) |
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IC50 | 5.75±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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BDBM10347 |
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n/a |
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Name | BDBM10347 |
Synonyms: | (S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxymethyl-azetidine--1-sulfonyl)-1H-indole-2,3-dione | 1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | Azetidine Isatin Analogue 18i |
Type | Small organic molecule |
Emp. Form. | C24H20FN3O5S |
Mol. Mass. | 481.496 |
SMILES | Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)n1 |r| |
Structure |
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