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Target
Cathepsin D
Ligand
BDBM17786
Substrate
Cathepsin D FRET Substrate
Meas. Tech.
Cathepsin D Enzymatic Assay
pH
4.0000±n/a
Temperature
295.1500±n/a K
IC50
110±n/a nM
Citation
 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB 2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (beta-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead. J Med Chem 50:4261-4 (2007) [PubMed]  Article 
Target
Name:
Cathepsin D
Synonyms:
Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor | CATD_HUMAN | CTSD | CPSD
Type:
Enzyme
Mol. Mass.:
44551.72
Organism:
Human
Description:
Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated.
Residue:
412
Sequence:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM17786
Synonyms:
(4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide | 2-aminoquinazoline, 3a
Type:
Small organic molecule
Emp. Form.:
C31H42N4O2
Mol. Mass.:
502.33
SMILES:
CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Cathepsin D FRET Substrate
Synonyms:
(7-Methoxycoumarin-4-yl)acetyl-Glycyl-L-Lysyl-L-Prolyl-L-Isoleucyl-L-Leucyl-L-Phenylalanyl-L-Phenylalanyl-L-Arginyl-L-Leucyl-N-(2,4-Dinitrophenyl-L-Lysyl)-D-Arginine Amide
Type:
Peptide
Mol. Mass.:
4565.53
Organism:
n/a
Description:
n/a
Residue:
40
Sequence:
MCACGLYLYSPRILELEPHEPHEARGLELYSDNPDARGNH