Reaction Details |
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Target | Cathepsin D |
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Ligand | BDBM50313796 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_615206 (CHEMBL1107841) |
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IC50 | 35±n/a nM |
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Citation | Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg Med Chem Lett20:1924-7 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cathepsin D |
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Name: | Cathepsin D |
Synonyms: | CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor |
Type: | Enzyme |
Mol. Mass.: | 44551.72 |
Organism: | Homo sapiens (Human) |
Description: | Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated. |
Residue: | 412 |
Sequence: | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
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BDBM50313796 |
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n/a |
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Name | BDBM50313796 |
Synonyms: | (2R,4S,5S)-5-((S)-2-((S)-2-acetamidopropanamido)-4-(methylthio)butanamido)-N-butyl-4-hydroxy-2,7-dimethyloctanamide | CHEMBL1088215 |
Type | Small organic molecule |
Emp. Form. | C24H46N4O5S |
Mol. Mass. | 502.711 |
SMILES | CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O |r| |
Structure |
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