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Literature summary for 1.1.1.205 extracted from

  • Alexandre, T.; Lupan, A.; Helynck, O.; Vichier-Guerre, S.; Dugue, L.; Gelin, M.; Haouz, A.; Labesse, G.; Munier-Lehmann, H.
    First-in-class allosteric inhibitors of bacterial IMPDHs (2019), Eur. J. Med. Chem., 167, 124-132 .
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
apoenzyme and enzyme in complex with 18, hanging drop vapor diffusion method, using 500 mM lithium chloride, 50 mM ammonium sulfate and 8% (w/v) PEG 8000 Pseudomonas aeruginosa

Inhibitors

Inhibitors Comment Organism Structure
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
4-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-(4-acetamidophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
4-(4-acetamidophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-(4-acetamidophenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
4-(4-acetamidophenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
4-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Eremothecium gossypii
4-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
Pseudomonas aeruginosa
4-acetyl-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
-
Eremothecium gossypii
4-acetyl-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
-
Pseudomonas aeruginosa
7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Eremothecium gossypii
7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Pseudomonas aeruginosa
7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Eremothecium gossypii
7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Pseudomonas aeruginosa
7-amino-5-(5-nitrothiophen-2-yl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Eremothecium gossypii
7-amino-5-(5-nitrothiophen-2-yl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
Pseudomonas aeruginosa
N-[4-(1-benzyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl]acetamide
-
Eremothecium gossypii
N-[4-(1-benzyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl]acetamide
-
Pseudomonas aeruginosa
tetrasodium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[(E)-diazene-2,1-diyl]]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
-
Eremothecium gossypii
tetrasodium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[(E)-diazene-2,1-diyl]]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
-
Pseudomonas aeruginosa

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
IMP + NAD+ + H2O Eremothecium gossypii
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Pseudomonas aeruginosa
-
XMP + NADH + H+
-
?

Organism

Organism UniProt Comment Textmining
Eremothecium gossypii
-
-
-
Pseudomonas aeruginosa Q9HXM5
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
IMP + NAD+ + H2O
-
Eremothecium gossypii XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Pseudomonas aeruginosa XMP + NADH + H+
-
?

Synonyms

Synonyms Comment Organism
IMPDH
-
Eremothecium gossypii
IMPDH
-
Pseudomonas aeruginosa
inosine-5'-monophosphate dehydrogenase
-
Eremothecium gossypii
inosine-5'-monophosphate dehydrogenase
-
Pseudomonas aeruginosa

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Eremothecium gossypii
NAD+
-
Pseudomonas aeruginosa

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0016
-
pH and temperature not specified in the publication Pseudomonas aeruginosa tetrasodium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[(E)-diazene-2,1-diyl]]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
0.0028
-
pH and temperature not specified in the publication Pseudomonas aeruginosa N-[4-(1-benzyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl]acetamide
0.004
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
0.004
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 7-amino-5-(5-nitrothiophen-2-yl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
0.007
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
0.0074
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
0.0117
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
0.0117
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
0.017
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-acetyl-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
0.0183
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
0.019
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
0.023
-
pH and temperature not specified in the publication Pseudomonas aeruginosa 4-(4-acetamidophenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid