Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM171406
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay
pH
3.5±n/a
IC50
516140±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:
BDBM171406
Synonyms:
US9085576, 40 | US9611261, Example 40
Type:
Small organic molecule
Emp. Form.:
C18H14BrF3N4O2
Mol. Mass.:
455.229
SMILES:
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,t:1|
Structure:
Search PDB for entries with ligand similarity: