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Target
Cathepsin D
Ligand
BDBM50341176
Substrate
n/a
Meas. Tech.
ChEMBL_740481 (CHEMBL1764636)
IC50
6400±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:
BDBM50341176
Synonyms:
(4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one | (S)-4-{2-Hydroxy-5-[(3S,4S,5R)-4-hydroxy-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-3-ylmethyl]-benzyl}-3-propyl-oxazolidin-2-one | CHEMBL1615184
Type:
Small organic molecule
Emp. Form.:
C29H40N2O6S
Mol. Mass.:
544.703
SMILES:
CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O |r|
Structure:
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