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Target
Cathepsin D
Ligand
BDBM50055915
Substrate
n/a
Meas. Tech.
ChEMBL_1458603 (CHEMBL3371146)
IC50
10000±n/a nM
Citation
 Grädler, U; Czodrowski, P; Tsaklakidis, C; Klein, M; Werkmann, D; Lindemann, S; Maskos, K; Leuthner, B Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg Med Chem Lett 24:4141-50 (2014) [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:
BDBM50055915
Synonyms:
CHEMBL3321919
Type:
Small organic molecule
Emp. Form.:
C18H20N4O5
Mol. Mass.:
372.3752
SMILES:
COc1cc(CC(=O)NC(=N)NCc2ccccc2)c(cc1OC)[N+]([O-])=O
Structure:
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