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Literature summary for 1.1.1.205 extracted from

  • Sahu, N.U.; Singh, V.; Ferraris, D.M.; Rizzi, M.; Kharkar, P.S.
    Hit discovery of Mycobacterium tuberculosis inosine 5'-monophosphate dehydrogenase, GuaB2, inhibitors (2018), Bioorg. Med. Chem. Lett., 28, 1714-1718 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
1-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]ethan-1-one
-
Mycobacterium tuberculosis
1-[(4-methoxyphenyl)methyl]-5-[[(naphthalen-2-yl)oxy]methyl]-1H-1,2,3-triazole 52.4% inhibition at 0.05 mM Mycobacterium tuberculosis
2-(4-benzoylphenyl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)propanamide 95.2% inhibition at 0.05 mM Mycobacterium tuberculosis
2-(4-fluoronaphthalen-1-yl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide 99.9% inhibition at 0.05 mM Mycobacterium tuberculosis
2-chloro-N,N-dimethyl-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]benzamide
-
Mycobacterium tuberculosis
2-[4-([1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazol-5-yl]methoxy)phenyl]-5-methyl-1,3,4-oxadiazole 71% inhibition at 0.05 mM Mycobacterium tuberculosis
2-[4-([1-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazol-5-yl]methoxy)phenyl]-5-methyl-1,3,4-oxadiazole 35% inhibition at 0.05 mM Mycobacterium tuberculosis
2-[4-([1-[([1,1'-biphenyl]-4-yl)methyl]-1H-1,2,3-triazol-5-yl]methoxy)phenyl]-5-methyl-1,3,4-oxadiazole 72.6% inhibition at 0.05 mM Mycobacterium tuberculosis
4-[(5-[[(naphthalen-1-yl)oxy]methyl]-1H-1,2,3-triazol-1-yl)methyl]benzonitrile 43.5% inhibition at 0.05 mM Mycobacterium tuberculosis
Mycophenolic acid complete inhibition at 0.01 mM, 83% inhibition at 0.05 mM Mycobacterium tuberculosis
N2-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide
-
Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
IMP + NAD+ + H2O Mycobacterium tuberculosis
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Mycobacterium tuberculosis H37Rv
-
XMP + NADH + H+
-
?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WKI7
-
-
Mycobacterium tuberculosis H37Rv P9WKI7
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
IMP + NAD+ + H2O
-
Mycobacterium tuberculosis XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Mycobacterium tuberculosis H37Rv XMP + NADH + H+
-
?

Synonyms

Synonyms Comment Organism
guaB2
-
Mycobacterium tuberculosis
IMPDH2
-
Mycobacterium tuberculosis
inosine 5'-monophosphate dehydrogenase
-
Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000014
-
N2-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide pH and temperature not specified in the publication Mycobacterium tuberculosis
0.000017
-
2-chloro-N,N-dimethyl-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]benzamide pH and temperature not specified in the publication Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00304
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-fluoronaphthalen-1-yl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide
0.0062
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-benzoylphenyl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)propanamide
0.0272
-
pH and temperature not specified in the publication Mycobacterium tuberculosis Mycophenolic acid
0.1747
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[(5-[[(naphthalen-1-yl)oxy]methyl]-1H-1,2,3-triazol-1-yl)methyl]benzonitrile