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Target
Cathepsin D
Ligand
BDBM50322884
Substrate
n/a
Meas. Tech.
ChEMBL_644688 (CHEMBL1211667)
IC50
520±n/a nM
Citation
 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G BACE-1 hydroxyethylamine inhibitors using novel edge-to-face interaction with Arg-296. Bioorg Med Chem Lett 20:4639-44 (2010) [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:
BDBM50322884
Synonyms:
CHEMBL1210361 | N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-isopropyl-5-(N-phenylmethylsulfonamido)benzamide
Type:
Small organic molecule
Emp. Form.:
C35H38F3N3O4S
Mol. Mass.:
653.754
SMILES:
CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
Structure:
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