Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin D
LigandBDBM171493
Substrate/Competitorn/a
Meas. Tech.Fluorescence Resonance Energy Transfer Assay
pH3.5±n/a
IC50 996820±n/a nM
Commentsextracted
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
More Info.:Get all data from this article,  Assay Method
 
Cathepsin D
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:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM171493
n/a
NameBDBM171493
Synonyms:US9085576, 127 | US9611261, Example 127
TypeSmall organic molecule
Emp. Form.C19H14Cl2FN5O2
Mol. Mass.434.251
SMILESNC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1Cl |r,t:1|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: