Reaction Details |
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Target | Cathepsin D |
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Ligand | BDBM50506530 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1826027 (CHEMBL4325791) |
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IC50 | 2.5±n/a nM |
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Citation | Hou?tecká, R; Hadzima, M; Fanfrlík, J; Brynda, J; Pallová, L; Hánová, I; Mertlíková-Kaiserová, H; Lep?ík, M; Horn, M; Smr?ina, M; Majer, P; Mare?, M Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J Med Chem63:1576-1596 (2020) [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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BDBM50506530 |
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n/a |
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Name | BDBM50506530 |
Synonyms: | CHEMBL4514021 |
Type | Small organic molecule |
Emp. Form. | C28H45N3O5 |
Mol. Mass. | 503.674 |
SMILES | CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O |r| |
Structure |
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