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Literature summary extracted from

  • Crespo, R.A.; Dang, Q.; Zhou, N.E.; Guthrie, L.M.; Snavely, T.C.; Dong, W.; Loesch, K.A.; Suzuki, T.; You, L.; Wang, W.; OMalley, T.; Parish, T.; Olsen, D.B.; Sacchettini, J.C.
    Structure-guided drug design of 6-substituted adenosine snalogues as potent inhibitors of Mycobacterium tuberculosis adenosine kinase (2019), J. Med. Chem., 62, 4483-4499 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.7.1.20
-
Mycobacterium tuberculosis
2.7.1.20
-
Homo sapiens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.7.1.20 vapor diffusion method at 20°C Mycobacterium tuberculosis
2.7.1.20 vapor diffusion method at 20°C Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.20 (1R,2S,3R,5R)-3-(6-(4-([1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3R,4S,5R)-2-(6-(4-(4-(1-(difluoromethyl)-1H-pyrazol-4-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3R,4S,5R)-2-(6-(4-([1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(3'-(morpholinomethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Homo sapiens
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(3'-(morpholinomethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4'-(2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-(trifluoromethyl)pyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Homo sapiens
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-(trifluoromethyl)pyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-methoxypyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(phenylethynyl)phenyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Homo sapiens
2.7.1.20 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
Mycobacterium tuberculosis
2.7.1.20 7-[4-([1,1'-biphenyl]-4-yl)piperazin-1-yl]-3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridine
-
Mycobacterium tuberculosis

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.7.1.20 1.71
-
adenosine pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.1.20 ATP + adenosine Homo sapiens
-
ADP + AMP
-
?
2.7.1.20 ATP + adenosine Mycobacterium tuberculosis essential enzyme of Mycobacterium tuberculosis and forms part of the purine salvage pathway within mycobacteria ADP + AMP
-
?
2.7.1.20 ATP + adenosine Mycobacterium tuberculosis H37Rv essential enzyme of Mycobacterium tuberculosis and forms part of the purine salvage pathway within mycobacteria ADP + AMP
-
?

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.20 Homo sapiens P55263
-
-
2.7.1.20 Mycobacterium tuberculosis P9WID5
-
-
2.7.1.20 Mycobacterium tuberculosis H37Rv P9WID5
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
2.7.1.20
-
Mycobacterium tuberculosis
2.7.1.20
-
Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.20 ATP + adenosine
-
Mycobacterium tuberculosis ADP + AMP
-
?
2.7.1.20 ATP + adenosine
-
Homo sapiens ADP + AMP
-
?
2.7.1.20 ATP + adenosine essential enzyme of Mycobacterium tuberculosis and forms part of the purine salvage pathway within mycobacteria Mycobacterium tuberculosis ADP + AMP
-
?
2.7.1.20 ATP + adenosine
-
Mycobacterium tuberculosis H37Rv ADP + AMP
-
?
2.7.1.20 ATP + adenosine essential enzyme of Mycobacterium tuberculosis and forms part of the purine salvage pathway within mycobacteria Mycobacterium tuberculosis H37Rv ADP + AMP
-
?

Subunits

EC Number Subunits Comment Organism
2.7.1.20 homodimer
-
Mycobacterium tuberculosis
2.7.1.20 homodimer
-
Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.7.1.20 0.0000053
-
(2R,3R,4S,5R)-2-(6-(4-([1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000163
-
7-[4-([1,1'-biphenyl]-4-yl)piperazin-1-yl]-3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridine pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000185
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-methoxypyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000189
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4'-(2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000199
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(phenylethynyl)phenyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000213
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.000023
-
(2R,3R,4S,5R)-2-(6-(4-(4-(1-(difluoromethyl)-1H-pyrazol-4-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000255
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(3'-(morpholinomethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.0000275
-
(1R,2S,3R,5R)-3-(6-(4-([1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.000048
-
(2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.00012
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.000326
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-(trifluoromethyl)pyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis
2.7.1.20 0.00041
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(3'-(morpholinomethyl)-[1,1'-biphenyl]-4-yl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Homo sapiens
2.7.1.20 0.0016
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(4-(6-(trifluoromethyl)pyridin-3-yl)phenyl)piperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Homo sapiens
2.7.1.20 0.0051
-
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol pH 7.5, temperature not specified in the publication Homo sapiens

General Information

EC Number General Information Comment Organism
2.7.1.20 metabolism essential enzyme of Mycobacterium tuberculosis and forms part of the purine salvage pathway within mycobacteria Mycobacterium tuberculosis