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Target
Cathepsin D
Ligand
BDBM501214
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Cathepsin D (CatD) FRET Assay
IC50
427500±n/a nM
Citation
 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use US Patent  US11021493 Publication Date 6/1/2021 
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:
BDBM501214
Synonyms:
US11021493, Example 133
Type:
Small organic molecule
Emp. Form.:
C22H22F4N4O3S
Mol. Mass.:
498.494
SMILES:
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F |r,t:2,THB:0:1:8.9:11,4:3:8.9:11,14:1:8.9:11|
Structure:
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