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Literature summary 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)

EC Number Crystallization (Comment) Organism
1.1.1.205 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

EC Number Inhibitors Comment Organism Structure
1.1.1.205 3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 4-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-(4-acetamidophenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 4-(4-acetamidophenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 4-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Eremothecium gossypii
1.1.1.205 4-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
-
 Pseudomonas aeruginosa
1.1.1.205 4-acetyl-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
-
 Eremothecium gossypii
1.1.1.205 4-acetyl-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
-
 Pseudomonas aeruginosa
1.1.1.205 7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
 Eremothecium gossypii
1.1.1.205 7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
 Pseudomonas aeruginosa
1.1.1.205 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
 Eremothecium gossypii
1.1.1.205 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
-
 Pseudomonas aeruginosa
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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)

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

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.205 Eremothecium gossypii
-
-
-
1.1.1.205 Pseudomonas aeruginosa Q9HXM5
-
-

Substrates and Products (Substrate)

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

Synonyms

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

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.205 NAD+
-
 Eremothecium gossypii
1.1.1.205 NAD+
-
 Pseudomonas aeruginosa

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.1.1.205 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)
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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
1.1.1.205 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