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Target
Cathepsin D
Ligand
BDBM50341168
Substrate
n/a
Meas. Tech.
ChEMBL_740481 (CHEMBL1764636)
IC50
7100±n/a nM
Citation
 Rueeger, H; Rondeau, JM; McCarthy, C; Möbitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg Med Chem Lett 21:1942-7 (2011) [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:
BDBM50341168
Synonyms:
(+/-)-(3S,4S,5R)-3-[4-Hydroxy-3-(3-methyl-benzyl)-benzyl]-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol | CHEMBL1760853
Type:
Small organic molecule
Emp. Form.:
C30H37NO4S
Mol. Mass.:
507.684
SMILES:
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Cc4cccc(C)c4)c3)[C@@H]2O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: