Target
Cathepsin D
Ligand
BDBM16068
Substrate
Cathepsin D Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
Temperature
298.15±n/a K
IC50
460±n/a nM
Comments
extracted
Citation
 Hanessian, SYang, GRondeau, JMNeumann, UBetschart, CTintelnot-Blomley, M Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J Med Chem 49:4544-67 (2006) [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:
BDBM16068
Synonyms:
dithia macrocycle compound 27 | tert-butyl N-[(3R,6S,9R,13Z)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate | tert-butyl {(3R,6S,9R,13Z)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate
Type:
Small organic molecule
Emp. Form.:
C26H46N4O6S2
Mol. Mass.:
574.797
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r,c:16|
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