Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2R)-2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
(2R)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | - |
Homo sapiens | |
(2S)-2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
(2S)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-4-oxo-5-sulfanyl-6-[4-(2-sulfanylpropan-2-yl)phenyl]hexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-4-oxo-5-sulfanyl-6-[4-(3-sulfanylpentan-3-yl)phenyl]hexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-4-oxo-6-[4-[piperidin-4-yl(sulfanyl)methyl]phenyl]-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-[4-(butan-2-yl)phenyl]-1-(morpholin-4-yl)-5-sulfanylhexane-1,4-dione | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-[4-(butan-2-yl)phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-[4-[2,3-dihydro-1H-inden-2-yl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(4-bromobenzyl)-6-[4-[cyclopentyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(biphenyl-4-ylmethyl)-4-oxo-6-[4-[piperidin-4-yl(sulfanyl)methyl]phenyl]-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(biphenyl-4-ylmethyl)-6-[4-[2,3-dihydro-1H-inden-2-yl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-(biphenyl-4-ylmethyl)-6-[4-[cyclopentyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoic acid | - |
Homo sapiens | |
2-benzyl-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
6-(biphenyl-4-yl)-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
6-[4-[(1-acetylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
6-[4-[(1-benzoylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
6-[4-[(1-benzylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | - |
Homo sapiens | |
6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | - |
Homo sapiens | |
additional information | desing of neprilysin inhibitors containing an alpha-mercaptoketone HSC(R1R2)CO group, as zinc ligand, substituted alpha-mercaptoketones are specific neprilysin inhibitors, optimization of the enzyme-inhibitor interactions within the S1 subsite, overview. Role of the size of the inhibitor which interacts with the S1, S1', or S2' domain of the enzyme and the nature of the substituents R1, and R2 of the mercaptoketone group in inhibitor potency. Introduction of a cyclohexyl chain in R1, R2 position and a (3-thiophen)benzyl group in position R3 yields to the most potent inhibitor of this series with a Ki value | Homo sapiens | |
N-(2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoyl)-L-alanine | - |
Homo sapiens | |
N-(2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoyl)-L-tryptophan | - |
Homo sapiens | |
N-[2-(4-bromobenzyl)-4-oxo-5-phenyl-5-sulfanylpentanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoyl]-L-tryptophan | - |
Homo sapiens | |
N-[2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-tryptophan | - |
Homo sapiens | |
N-[2-(4-bromobenzyl)-6-methyl-4-oxo-5-sulfanyloctanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-(biphenyl-4-ylmethyl)-4-oxo-5-sulfanylhexanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-(biphenyl-4-ylmethyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-(biphenyl-4-ylmethyl)-6-methyl-4-oxo-5-sulfanyloctanoyl]-L-alanine | - |
Homo sapiens | |
N-[2-benzyl-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoyl]-L-leucine | - |
Homo sapiens |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Zn2+ | a catalytic Zn2+ ion | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P08473 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
NEP | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000002 | - |
pH and temperature not specified in the publication | Homo sapiens | (2S)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | |
0.0000042 | - |
pH and temperature not specified in the publication | Homo sapiens | (2S)-2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.0000046 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | |
0.000007 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(4-bromobenzyl)-6-methyl-4-oxo-5-sulfanyloctanoyl]-L-alanine | |
0.000009 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.00001 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-benzyl-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoyl]-L-leucine | |
0.000012 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(biphenyl-4-ylmethyl)-6-methyl-4-oxo-5-sulfanyloctanoyl]-L-alanine | |
0.000018 | - |
pH and temperature not specified in the publication | Homo sapiens | N-(2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoyl)-L-tryptophan | |
0.00002 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-[4-(butan-2-yl)phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.000022 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(4-bromobenzyl)-4-oxo-5-phenyl-5-sulfanylpentanoyl]-L-alanine | |
0.000026 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(biphenyl-4-ylmethyl)-6-[4-[2,3-dihydro-1H-inden-2-yl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.000029 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(biphenyl-4-ylmethyl)-6-[4-[cyclopentyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.00003 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-tryptophan | |
0.000032 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.000036 | - |
pH and temperature not specified in the publication | Homo sapiens | (2R)-2-(biphenyl-4-ylmethyl)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.000036 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-[4-[2,3-dihydro-1H-inden-2-yl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.00004 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(biphenyl-4-ylmethyl)-4-oxo-5-sulfanylhexanoyl]-L-alanine | |
0.000046 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(biphenyl-4-ylmethyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-alanine | |
0.000049 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-[4-[(1-benzoylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | |
0.00005 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoic acid | |
0.000052 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-[4-[cyclopentyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanylhexanoic acid | |
0.000054 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-4-oxo-6-[4-[piperidin-4-yl(sulfanyl)methyl]phenyl]-5-sulfanylhexanoic acid | |
0.000054 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-[4-[(1-benzylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | |
0.000061 | - |
pH and temperature not specified in the publication | Homo sapiens | (2R)-6-[4-[cyclohexyl(sulfanyl)methyl]phenyl]-4-oxo-5-sulfanyl-2-[4-(thiophen-3-yl)benzyl]hexanoic acid | |
0.000061 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(biphenyl-4-ylmethyl)-4-oxo-6-[4-[piperidin-4-yl(sulfanyl)methyl]phenyl]-5-sulfanylhexanoic acid | |
0.000078 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(4-bromobenzyl)-4-oxo-6-phenyl-5-sulfanylhexanoyl]-L-alanine | |
0.000086 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-4-oxo-5-sulfanyl-6-[4-(3-sulfanylpentan-3-yl)phenyl]hexanoic acid | |
0.000095 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-[4-[(1-acetylpiperidin-4-yl)(sulfanyl)methyl]phenyl]-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | |
0.000095 | - |
pH and temperature not specified in the publication | Homo sapiens | N-(2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoyl)-L-alanine | |
0.00014 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-benzyl-4-oxo-6-phenyl-5-sulfanylhexanoic acid | |
0.000162 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoyl]-L-tryptophan | |
0.000252 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-(biphenyl-4-yl)-2-(4-bromobenzyl)-4-oxo-5-sulfanylhexanoic acid | |
0.00026 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoic acid | |
0.00047 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-4-oxo-5-sulfanyl-6-[4-(2-sulfanylpropan-2-yl)phenyl]hexanoic acid | |
0.00165 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(4-bromobenzyl)-6-[4-(butan-2-yl)phenyl]-1-(morpholin-4-yl)-5-sulfanylhexane-1,4-dione | |
0.00175 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-benzyl-6-(4-bromophenyl)-4-oxo-5-sulfanylhexanoic acid |