Target
Cathepsin D
Ligand
BDBM171425
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay
pH
3.5±n/a
IC50
>400000±n/a nM
Comments
extracted
Citation
 Minatti, AELow, JDAllen, JRAmegadzie, ABrown, JFrohn, MJGuzman-Perez, AHarrington, PELopez, PMa, VVNishimura, NQian, WRumfelt, SRzasa, RMSham, KSmith, ALWhite, RXue, 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:
BDBM171425
Synonyms:
US9085576, 59 | US9085576, 65 | US9611261, Example 65
Type:
Small organic molecule
Emp. Form.:
C19H14F3N5O2
Mol. Mass.:
401.342
SMILES:
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
Structure:
Search PDB for entries with ligand similarity: