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Target
Cathepsin D
Ligand
BDBM335438
Substrate
n/a
Meas. Tech.
Cathepsin-D Assay
Ki
4011±n/a nM
Citation
 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use US Patent  US9732088 Publication Date 8/15/2017 
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:
BDBM335438
Synonyms:
(3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((2- methoxypyrido[3,4-b]pyrazin- 5-yl)amino)phenyl)-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide | US9732088, Example 8
Type:
Small organic molecule
Emp. Form.:
C23H24F2N6O3S
Mol. Mass.:
502.537
SMILES:
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:30|
Structure:
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