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Literature summary for 2.7.1.20 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
Search for more literature for 2.7.1.20

Cloned(Commentary)

Cloned (Comment) Organism
-
 Mycobacterium tuberculosis
-
 Homo sapiens

Crystallization (Commentary)

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

Inhibitors

Inhibitors Comment Organism Structure
(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
(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
(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
(2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
-
 Mycobacterium tuberculosis
(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
(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
(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
(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
(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
(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
(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
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-(phenylethynyl)phenyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
 Mycobacterium tuberculosis
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
 Homo sapiens
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
 Mycobacterium tuberculosis
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]

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

Natural Substrates/ Products (Substrates)

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

Organism

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

Purification (Commentary)

Purification (Comment) Organism
-
 Mycobacterium tuberculosis
-
 Homo sapiens

Substrates and Products (Substrate)

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

Subunits

Subunits Comment Organism
homodimer
-
 Mycobacterium tuberculosis
homodimer
-
 Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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