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Target
Cathepsin D
Ligand
BDBM50506518
Substrate
n/a
Meas. Tech.
ChEMBL_1826027 (CHEMBL4325791)
IC50
4.7±n/a nM
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 Chem 63:1576-1596 (2020) [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:
BDBM50506518
Synonyms:
CHEMBL4551750
Type:
Small organic molecule
Emp. Form.:
C28H44FN3O4
Mol. Mass.:
505.6651
SMILES:
CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Structure:
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