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Target
Cathepsin D
Ligand
BDBM50313805
Substrate
n/a
Meas. Tech.
ChEMBL_615206 (CHEMBL1107841)
IC50
560±n/a nM
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 Lett 20:1924-7 (2010) [PubMed]  Article 
Target
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:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM50313805
Synonyms:
(1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopyrrolidin-1-yl)propan-2-yl)cyclohexanecarboxamide | CHEMBL1077236
Type:
Small organic molecule
Emp. Form.:
C34H49N3O3
Mol. Mass.:
547.7712
SMILES:
CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r|
Structure:
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