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Literature summary for 3.4.15.1 extracted from

  • Deaton, D.N.; Gao, E.N.; Graham, K.P.; Gross, J.W.; Miller, A.B.; Strelow, J.M.
    Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite (2008), Bioorg. Med. Chem. Lett., 18, 732-737.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-[[(2S)-2-mercapto-3-methylpentanoyl]amino]-3-(2-naphthyl)propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-2-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-3-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-4-yl-2-[(2-mercapto-2-methylpropanoyl)amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-4-yl-2-[(mercaptoacetyl)amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptobutanoyl]amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptopropanoyl]amino]propanoic acid
-
Homo sapiens
(2S)-3-biphenyl-4-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid
-
Homo sapiens
2-(benzyloxy)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-phenylalanine
-
Homo sapiens
3-(benzyloxy)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-phenylalanine
-
Homo sapiens
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-2-phenoxy-L-phenylalanine
-
Homo sapiens
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-3-phenoxy-L-phenylalanine
-
Homo sapiens
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-phenyl-L-tyrosine
-
Homo sapiens
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-[4-(trifluoromethyl)benzyl]-L-tyrosine
-
Homo sapiens
O-(2,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine
-
Homo sapiens
O-(3,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine
-
Homo sapiens
O-(4-fluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine
-
Homo sapiens
O-benzyl-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine
-
Homo sapiens
[[(2S)-2-mercapto-3-methylpentanoyl]amino]acetic acid
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Homo sapiens Q9BYF1
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
MCA-Ala-Ser-Asp-Lys-Dap(DNP)-OH + H2O angiotensin-converting enzyme Homo sapiens ?
-
?
MCA-Tyr-Val-Ala-Asp-Ala-Pro-Lys(DNP)-OH + H2O angiotensin-converting enzyme 2 Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
ACE
-
Homo sapiens
ACE2
-
Homo sapiens
angiotensin-converting enzyme
-
Homo sapiens
angiotensin-converting enzyme 2
-
Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000014
-
O-benzyl-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000014
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptobutanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000015
-
(2S)-3-biphenyl-2-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000015
-
(2S)-3-biphenyl-3-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000016
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-2-phenoxy-L-phenylalanine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000018
-
(2S)-2-[[(2S)-2-mercapto-3-methylpentanoyl]amino]-3-(2-naphthyl)propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000018
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-phenyl-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000024
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-3-phenoxy-L-phenylalanine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000032
-
O-benzyl-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.0000069
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptopropanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000071
-
O-(4-fluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0000086
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptobutanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.0000093
-
(2S)-2-[[(2S)-2-mercapto-3-methylpentanoyl]amino]-3-(2-naphthyl)propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.000016
-
(2S)-3-biphenyl-4-yl-2-[(mercaptoacetyl)amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.000021
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-2-mercaptopropanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00003
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.000065
-
2-(benzyloxy)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-phenylalanine pH, angiotensin-converting enzyme 2 Homo sapiens
0.000084
-
3-(benzyloxy)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-phenylalanine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.000086
-
(2S)-3-biphenyl-4-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.000093
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-[4-(trifluoromethyl)benzyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.0002
-
(2S)-3-biphenyl-2-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.0002
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-2-phenoxy-L-phenylalanine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00021
-
O-(3,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00032
-
(2S)-3-biphenyl-4-yl-2-[(mercaptoacetyl)amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.00042
-
O-(2,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.00049
-
(2S)-3-biphenyl-3-yl-2-[[(2S)-3-methyl-2-sulfanylpentanoyl]amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00052
-
[[(2S)-2-mercapto-3-methylpentanoyl]amino]acetic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00055
-
O-(3,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.00062
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-3-phenoxy-L-phenylalanine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.0007
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-phenyl-L-tyrosine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00084
-
O-(2,4-difluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme Homo sapiens
0.00086
-
N-[(2S)-3-methyl-2-sulfanylpentanoyl]-O-[4-(trifluoromethyl)benzyl]-L-tyrosine pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0014
-
[[(2S)-2-mercapto-3-methylpentanoyl]amino]acetic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0023
-
(2S)-3-biphenyl-4-yl-2-[(2-mercapto-2-methylpropanoyl)amino]propanoic acid pH 7.5, angiotensin-converting enzyme 2 Homo sapiens
0.0027
-
O-(4-fluorobenzyl)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-tyrosine pH 7.5, angiotensin-converting enzymepotent and long-acting DPP-IV inhibitor and effective with single daily dosing Homo sapiens
0.0034
-
(2S)-3-biphenyl-4-yl-2-[(2-mercapto-2-methylpropanoyl)amino]propanoic acid pH 7.5, angiotensin-converting enzyme Homo sapiens
0.013
-
2-(benzyloxy)-N-[(2S)-3-methyl-2-sulfanylpentanoyl]-L-phenylalanine pH, angiotensin-converting enzyme Homo sapiens