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Target
Cathepsin D
Ligand
BDBM171563
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay
pH
3.5±n/a
IC50
260500±n/a nM
Comments
extracted
Citation
 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use US Patent  US9085576 Publication Date 7/21/2015 
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:
BDBM171563
Synonyms:
US9085576, 197 | US9611261, Example 197
Type:
Small organic molecule
Emp. Form.:
C20H17F2N5O3
Mol. Mass.:
413.3775
SMILES:
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Structure:
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