Target
Cathepsin D
Ligand
BDBM214893
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Cathepsin D FRET Assay
pH
3.5±n/a
IC50
2140000±n/a nM
Comments
extracted
Citation
 Minatti, AELow, JDAllen, JRChen, JChen, NCheng, YJudd, TLiu, QLopez, PQian, WRumfelt, SRzasa, RMTamayo, NAXue, QYang, BZhong, W Perfluorinated 5,6-dihydro-4H-1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use US Patent  US9296734 Publication Date 3/29/2016 
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:
BDBM214893
Synonyms:
US9296734, 93
Type:
Small organic molecule
Emp. Form.:
C17H13BrF5N3O2
Mol. Mass.:
466.2
SMILES:
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F |r,t:1|
Structure:
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