Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM29753
Substrate
Cathepsin D Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
3.1±n/a
Temperature
295.15±n/a K
Comments
16% inhibition @ 10 uM.
Citation
 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg Med Chem Lett 19:1361-5 (2009) [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:
BDBM29753
Synonyms:
macrocyclic peptidomimetic, 3g
Type:
Small organic molecule
Emp. Form.:
C25H47N3O4
Mol. Mass.:
453.6584
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Cathepsin D Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2375.29
Organism:
n/a
Description:
Peptide substrates were obtained from Bachem (Bubendorf, Switzerland).
Residue:
20
Sequence:
MCAGKPILFFRLKDNPDRNH