Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50440414
Substrate
n/a
Meas. Tech.
ChEMBL_982389 (CHEMBL2427050)
IC50
7900±n/a nM
Citation
 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Jacobson, LH; Staufenbiel, M; Desrayaud, S; Rondeau, JM; Möbitz, H; Neumann, U Discovery of cyclic sulfoxide hydroxyethylamines as potent and selectiveß-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloidß-peptides. Bioorg Med Chem Lett 23:5300-6 (2013) [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:
BDBM50440414
Synonyms:
CHEMBL2425602
Type:
Small organic molecule
Emp. Form.:
C26H34F4N2O5S
Mol. Mass.:
562.617
SMILES:
COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cccc(c3)C(C)(C)O)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: