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Literature summary for 3.4.23.5 extracted from

  • Graedler, U.; Czodrowski, P.; Tsaklakidis, C.; Klein, M.; Werkmann, D.; Lindemann, S.; Maskos, K.; Leuthner, B.
    Structure-based optimization of non-peptidic Cathepsin D inhibitors (2014), Bioorg. Med. Chem. Lett., 24, 4141-4150.
    View publication on PubMed
Search for more literature for 3.4.23.5

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitors, hanging drop vapor diffusion method, using 35% (w/v) PEG2000, 0.1 M Na-acetat (pH 5.5) Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(5Z)-5-[4-[(4-benzoyl-3-hydroxy-2-propylphenoxy)methyl]benzylidene]-2-thioxo-1,3-thiazolidin-4-one
-
 Homo sapiens
2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
-
 Homo sapiens
2-bromo-N-[(2S,3S)-4-[[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino]-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
-
 Homo sapiens
3,5-dichloro-2-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl]amino]-N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]benzamide
-
 Homo sapiens
3-cyclohexyl-N-(3,4-difluorobenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N-(3,4-dimethoxybenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(3-fluoro-4-methoxybenzyl)-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(4-fluoro-3-methoxybenzyl)-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-fluoro-4-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
-
 Homo sapiens
3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[4-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
-
 Homo sapiens
N-(3,4-dimethoxybenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-leucinamide
-
 Homo sapiens
N-(3,4-dimethoxybenzyl)-Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-phenylalaninamide
-
 Homo sapiens
N-(N-benzylcarbamimidoyl)-2-(2-chloro-5-methoxyphenyl)acetamide
-
 Homo sapiens
N-(N-benzylcarbamimidoyl)-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
-
 Homo sapiens
N-(N-benzylcarbamimidoyl)-3-(3,4-dimethoxyphenyl)propanamide
-
 Homo sapiens
N-(N-benzylcarbamimidoyl)-4-(4,5-dimethoxy-2-nitrophenyl)butanamide
-
 Homo sapiens
N-[N-(2-chlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
-
 Homo sapiens
N-[N-(3,4-dichlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
-
 Homo sapiens
N-[N-(3,4-dimethoxybenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
-
 Homo sapiens
N-[N-(4-aminobenzyl)carbamimidoyl]-2-(3,4-dimethoxyphenyl)acetamide
-
 Homo sapiens
N-[N-(4-chlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
-
 Homo sapiens
N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-3-cyclohexyl-N-(4-fluoro-3-methoxybenzyl)-D-alaninamide
-
 Homo sapiens
N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-3-cyclohexyl-N-[3-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
-
 Homo sapiens
N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
-
 Homo sapiens
N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(4-fluoro-3-methoxybenzyl)-D-leucinamide
-
 Homo sapiens
N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-fluoro-3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
-
 Homo sapiens
N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
-
 Homo sapiens
N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-fluoro-4-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
-
 Homo sapiens
N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[4-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
-
 Homo sapiens
Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-D-phenylalaninamide
-
 Homo sapiens
Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-L-phenylalaninamide
-
 Homo sapiens
pepstatin A
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
lysosome
-
 Homo sapiens 5764
-

Organism

Organism UniProt Comment Textmining
Homo sapiens P07339
-
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
GKPILFFRLK(Dnp)-D-R-NH2 + H2O
-
 Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
CatD
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000001
-
 IC50 of less than 1 nM, at pH 5.5 and 37°C Homo sapiens pepstatin A
0.0000086
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-3-cyclohexyl-N-(4-fluoro-3-methoxybenzyl)-D-alaninamide
0.000024
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(4-fluoro-3-methoxybenzyl)-D-leucinamide
0.000044
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[4-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
0.000058
-
 at pH 5.5 and 37°C Homo sapiens N-(3,4-dimethoxybenzyl)-Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-phenylalaninamide
0.000067
-
 at pH 5.5 and 37°C Homo sapiens N-(3,4-dimethoxybenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-leucinamide
0.000081
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-fluoro-4-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
0.000085
-
 at pH 5.5 and 37°C Homo sapiens 2-bromo-N-[(2S,3S)-4-[[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino]-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
0.000092
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
0.000098
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(3-fluoro-4-methoxybenzyl)-D-alaninamide
0.00012
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N-(3,4-dimethoxybenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-alaninamide
0.00014
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-3-cyclohexyl-N-[3-(1H-tetrazol-5-yl)benzyl]-D-alaninamide
0.00017
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-(4-fluoro-3-methoxybenzyl)-D-alaninamide
0.00017
-
 at pH 5.5 and 37°C Homo sapiens 3-cyclohexyl-N-(3,4-difluorobenzyl)-N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-D-alaninamide
0.00021
-
 at pH 5.5 and 37°C Homo sapiens (5Z)-5-[4-[(4-benzoyl-3-hydroxy-2-propylphenoxy)methyl]benzylidene]-2-thioxo-1,3-thiazolidin-4-one
0.00024
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(2-bromo-4,5-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
0.00025
-
 at pH 5.5 and 37°C Homo sapiens 3,5-dichloro-2-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl]amino]-N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]benzamide
0.00028
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-fluoro-3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
0.00032
-
 at pH 5.5 and 37°C Homo sapiens Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-D-phenylalaninamide
0.00037
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
0.00044
-
 at pH 5.5 and 37°C Homo sapiens N-[N-(3,4-dichlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
0.00051
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[4-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
0.00069
-
 at pH 5.5 and 37°C Homo sapiens N2-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[3-fluoro-4-(1H-tetrazol-5-yl)benzyl]-D-leucinamide
0.0015
-
 at pH 5.5 and 37°C Homo sapiens N-[N-(4-chlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
0.0019
-
 at pH 5.5 and 37°C Homo sapiens 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
0.0027
-
 at pH 5.5 and 37°C Homo sapiens N-[N-(3,4-dimethoxybenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
0.003
-
 at pH 5.5 and 37°C Homo sapiens N-[N-(2-chlorobenzyl)carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
0.0061
-
 at pH 5.5 and 37°C Homo sapiens N-(N-benzylcarbamimidoyl)-2-(2-chloro-5-methoxyphenyl)acetamide
0.0083
-
 at pH 5.5 and 37°C Homo sapiens Na-[N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-L-phenylalaninamide
0.01
-
 at pH 5.5 and 37°C Homo sapiens N-(N-benzylcarbamimidoyl)-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
0.018
-
 at pH 5.5 and 37°C Homo sapiens N-(N-benzylcarbamimidoyl)-4-(4,5-dimethoxy-2-nitrophenyl)butanamide
0.025
-
 at pH 5.5 and 37°C Homo sapiens N-(N-benzylcarbamimidoyl)-3-(3,4-dimethoxyphenyl)propanamide
0.029
-
 at pH 5.5 and 37°C Homo sapiens N-[N-(4-aminobenzyl)carbamimidoyl]-2-(3,4-dimethoxyphenyl)acetamide