Crystallization (Comment) | Organism |
---|---|
BACE-1 in complex with inhibitor N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
N-[(1S,2R,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-2-azido-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-propyloxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-ethyloxy-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-2-amino-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | - |
Homo sapiens | |
N-[(1S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide | - |
Homo sapiens | |
N-[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
amyloid precursor protein + H2O | Homo sapiens | - |
fragments of amyloid precursor protein | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P56817 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
amyloid precursor protein + H2O | - |
Homo sapiens | fragments of amyloid precursor protein | - |
? |
Synonyms | Comment | Organism |
---|---|---|
BACE1 | - |
Homo sapiens |
beta-site amyloid precursor protein cleaving enzyme | - |
Homo sapiens |
beta-site APP-cleaving enzyme 1 | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000001 | - |
N-[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Ki less than 0.000001 mM, pH and temperature not specified in the publication | Homo sapiens | |
0.0000013 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.0000021 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-ethyloxy-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.000003 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-propyloxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.0000031 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.0000033 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.00002 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.00007 | - |
N-[(1S,2S,4R)-2-azido-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.00013 | - |
N-[(1S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.00014 | - |
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-2-amino-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens | |
0.00021 | - |
N-[(1S,2R,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide | pH and temperature not specified in the publication | Homo sapiens |