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Literature summary for 1.1.1.205 extracted from

  • Chen, L.; Wilson, D.J.; Xu, Y.; Aldrich, C.C.; Felczak, K.; Sham, Y.Y.; Pankiewicz, K.W.
    Triazole-linked inhibitors of inosine monophosphate dehydrogenase from human and Mycobacterium tuberculosis (2010), J. Med. Chem., 53, 4768-4778.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Mycobacterium tuberculosis

Crystallization (Commentary)

Crystallization (Comment) Organism
modeling of complex with inhibitor 9-(5-O-[hydroxy[([hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]oxy)methyl]phosphoryl]-b-L-ribofuranosyl)-9H-purin-6-amine Mycobacterium tuberculosis
modeling of complex with inhibitor 9-(5-O-[hydroxy[([hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]oxy)methyl]phosphoryl]-b-L-ribofuranosyl)-9H-purin-6-amine Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
6-((E)-4-(((1-(50-deoxy-adenosin-50-yl)-1H-1,2,3-triazol-4-yl)-methyl)amino)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one
-
Homo sapiens
6-((E)-4-(4-(adenosin-50-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one
-
Homo sapiens
6-((E)-4-(4-(adenosin-50-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one uncompetitive versus IMP Mycobacterium tuberculosis
9-(5-O-[hydroxy[([hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]oxy)methyl]phosphoryl]-beta-L-ribofuranosyl)-9H-purin-6-amine homology modeling; homology modeling Homo sapiens
NAD+
-
Homo sapiens
NAD+
-
Mycobacterium tuberculosis

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.078
-
inosine 5'-phosphate pH 8.0, 25°C Mycobacterium tuberculosis
1.005
-
NAD+ pH 8.0, 25°C Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Homo sapiens P12268 IMPDH2
-
Homo sapiens P20839 IMPDH1
-
Mycobacterium tuberculosis
-
-
-
Mycobacterium tuberculosis H37Rv
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
inosine 5'-phosphate + NAD+
-
Mycobacterium tuberculosis xanthosine 5'-phosphate + NADH + H+
-
?
inosine 5'-phosphate + NAD+
-
Homo sapiens xanthosine 5'-phosphate + NADH + H+
-
?
inosine 5'-phosphate + NAD+
-
Mycobacterium tuberculosis H37Rv xanthosine 5'-phosphate + NADH + H+
-
?

Synonyms

Synonyms Comment Organism
guaB2
-
Mycobacterium tuberculosis

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
0.53
-
inosine 5'-phosphate pH 8.0, 25°C Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
NAD+ comparison between the NAD+ binding sites of human IMPDHs and Mycobacterium tuberculosis IMPDH Homo sapiens
NAD+ comparison between the NAD+ binding-sites of human IMPDHs and Mycobacterium tuberculosis IMPDH Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000034
-
6-((E)-4-(((1-(50-deoxy-adenosin-50-yl)-1H-1,2,3-triazol-4-yl)-methyl)amino)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one pH 8.0, 25°C Homo sapiens
0.000044
-
6-((E)-4-(4-(adenosin-50-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one pH 8.0, 25°C Homo sapiens
0.00007
-
6-((E)-4-(4-(adenosin-50-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one pH 8.0, 25°C Homo sapiens
0.000077
-
6-((E)-4-(((1-(50-deoxy-adenosin-50-yl)-1H-1,2,3-triazol-4-yl)-methyl)amino)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one pH 8.0, 25°C Homo sapiens
0.0015
-
6-((E)-4-(4-(adenosin-50-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one pH 8.0, 25°C Mycobacterium tuberculosis
5
-
NAD+ pH 8.0, 25°C Mycobacterium tuberculosis