Reaction Details |
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Target | Cathepsin D |
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Ligand | BDBM50267297 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_563307 (CHEMBL981943) |
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Ki | 4300±n/a nM |
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Citation | Degoey, DA; Grampovnik, DJ; Flentge, CA; Flosi, WJ; Chen, HJ; Yeung, CM; Randolph, JT; Klein, LL; Dekhtyar, T; Colletti, L; Marsh, KC; Stoll, V; Mamo, M; Morfitt, DC; Nguyen, B; Schmidt, JM; Swanson, SJ; Mo, H; Kati, WM; Molla, A; Kempf, DJ 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects. J Med Chem52:2571-86 (2009) [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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BDBM50267297 |
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n/a |
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Name | BDBM50267297 |
Synonyms: | CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(3-Benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanamido)-4-hydroxy-6-phenyl-1-(4-(pyridin-2-yl)phenyl)hexan-2-ylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamate |
Type | Small organic molecule |
Emp. Form. | C47H60N6O6 |
Mol. Mass. | 805.0159 |
SMILES | COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| |
Structure |
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