| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin D |
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| Ligand | BDBM50084626 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_45176 (CHEMBL662661) |
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| Ki | 3±n/a nM |
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| Citation |  Huo, S; Wang, J; Cieplak, P; Kollman, PA; Kuntz, ID Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design. J Med Chem45:1412-9 (2002) [PubMed] |
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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 |
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| Synonyms: | CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 44551.72 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated. |
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| Residue: | 412 |
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| Sequence: | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
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| BDBM50084626 |
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| n/a |
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| Name | BDBM50084626 |
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| Synonyms: | CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-{(1S,3S)-3-[2-(2,4-dichloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-3-(dioxo-1,3-dihydro-isoindol-2-yl)-propionamide | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-{3-[2-(2,4-dichloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-3-(dioxo-1,3-dihydro-isoindol-2-yl)-propionamide |
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| Type | Small organic molecule |
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| Emp. Form. | C38H35Cl2N3O8 |
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| Mol. Mass. | 732.606 |
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| SMILES | O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl |
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| Structure | 
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