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Target
Cathepsin D
Ligand
BDBM229056
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic
pH
3.5±n/a
IC50
134000±n/a nM
Comments
extracted
Citation
 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use US Patent  US9556135 Publication Date 1/31/2017 
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:
BDBM229056
Synonyms:
US9556135, 122
Type:
Small organic molecule
Emp. Form.:
C22H22FN5O3S
Mol. Mass.:
455.505
SMILES:
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C#N |r,c:31|
Structure:
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