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Literature summary for 1.1.1.205 extracted from

  • Juvale, K.; Shaik, A.; Kirubakaran, S.
    Inhibitors of inosine 5'-monophosphate dehydrogenase as emerging new generation antimicrobial agents (2019), MedChemComm, 10, 1290-1301 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
(1H-naphtho[2,3-d]imidazol-2-yl)methyl 4-aminobenzoate
-
Cryptosporidium parvum
(2R)-2-[(naphthalen-1-yl)oxy]-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide Q21 Bacillus anthracis
(2R)-2-[(naphthalen-1-yl)oxy]-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide Q21 Cryptosporidium parvum
(2R)-2-[(naphthalen-1-yl)oxy]-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide Q21 Listeria monocytogenes
(2S)-2-(2,3-dichloroanilino)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide Q67 Mycobacterium tuberculosis
(2S)-N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide 7759844 Mycolicibacterium thermoresistibile
(2S)-N-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-[4-(1-methyl-1H-imidazol-4-yl)phenoxy]propanamide AT080 Mycolicibacterium thermoresistibile
(5S)-7-amino-5-(4-chlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile F2K Pseudomonas aeruginosa
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide D67 Bacillus anthracis
2-chloro-5-[[(2-[3-[(1E)-N-hydroxyethanimidoyl]phenyl]propan-2-yl)carbamoyl]amino]benzamide P32 Bacillus anthracis
2-chloro-N,N-dimethyl-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl[carbamoyl)amino]benzamide P41 Mycobacterium tuberculosis
2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
-
Cryptosporidium parvum
3-(1H-naphtho[2,3-d]imidazol-2-yl)propyl 4-aminobenzoate
-
Cryptosporidium parvum
3-(2-[[(4-chlorophenyl)carbamoyl]amino]propan-2-yl)-N-hydroxybenzene-1-carboximidamide P200 Bacillus anthracis
3-(2-[[(4-chlorophenyl)carbamoyl]amino]propan-2-yl)-N-hydroxybenzene-1-carboximidamide P200 Campylobacter jejuni
3-(2-[[(4-chlorophenyl)carbamoyl]amino]propan-2-yl)-N-hydroxybenzene-1-carboximidamide P200 Clostridium perfringens
4-(4-bromophenyl)-1H-imidazole NMR744 Mycolicibacterium thermoresistibile
4-[(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy]quinolin-2(1H)-one A110 Bacillus anthracis
4-[(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy]quinolin-2(1H)-one A110 Clostridium perfringens
5'-O-([1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl[methyl)adenosine MAD1, uncompetitive inhibitor Mycobacterium tuberculosis
5-([[2-([1,1'-biphenyl]-3-yl)propan-2-yl]carbamoyl]amino)-2-chlorobenzamide
-
Cryptosporidium parvum
cyclohexyl[4-(isoquinoline-5-sulfonyl)piperazin-1-yl]methanone VCC234718 Mycolicibacterium thermoresistibile
methyl 3-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
-
Cryptosporidium parvum
Mycophenolic acid
-
Vibrio cholerae
N-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-N'-(4-chloro-3-nitrophenyl)urea P131 Cryptosporidium parvum
N-(2H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide TBK6 Mycobacterium tuberculosis
N-(2H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide TBK6 Mycolicibacterium thermoresistibile
N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide
-
Cryptosporidium parvum
N-(4-bromophenyl)-N'-(2-[3-[(1E)-N-hydroxyethanimidoyl]phenyl]propan-2-yl)urea P68 Bacillus anthracis
N-(4-bromophenyl)-N'-[2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]urea P12 Campylobacter jejuni
N-(4-chloro-3-methoxyphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
-
Cryptosporidium parvum
N-(4-chlorophenyl)-2-phenoxypropanamide
-
Cryptosporidium parvum
N-(4-fluorophenyl)-4-[(2H-indazol-6-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
-
Mycolicibacterium thermoresistibile
N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
-
Cryptosporidium parvum
N-(4-methoxyphenyl)-2-(naphthalen-1-yl)acetamide
-
Cryptosporidium parvum
N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide
-
Cryptosporidium parvum
N-(naphthalen-2-yl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide
-
Cryptosporidium parvum
N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide C91 Bacillus anthracis
N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide C91 Campylobacter jejuni
N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide C91 Clostridium perfringens
N-naphthalen-2-yl-N'-[2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]urea
-
Cryptosporidium parvum
N-[(1R)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl[-N'-phenylurea G36 Mycobacterium tuberculosis
N-[2-chloro-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]phenyl]-beta-D-xylofuranosylamine P176; P221 Bacillus anthracis
N-[2-chloro-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]phenyl]-beta-D-xylofuranosylamine P176; P221 Clostridium perfringens
N-[2-chloro-5-[([2-[3-(propan-2-yl)phenyl]propan-2-yl]carbamoyl)amino]phenyl]-?-D-ribofuranosylamine P176 Campylobacter jejuni
N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-[2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]urea P178 Bacillus anthracis
N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-[2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]urea P178 Clostridium perfringens
N-[4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]-N'-(2-[3-[(1E)-N-hydroxyethanimidoyl]phenyl]propan-2-yl)urea P182 Bacillus anthracis
N-[4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]-N'-(2-[3-[(1E)-N-hydroxyethanimidoyl]phenyl]propan-2-yl)urea P182 Campylobacter jejuni
N-[4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]-N'-(2-[3-[(1E)-N-hydroxyethanimidoyl]phenyl]propan-2-yl)urea P182 Clostridium perfringens
oxanosine monophosphate
-
Bacillus anthracis
[2-chloro-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]phenoxy]acetic acid P225 Campylobacter jejuni
[2-chloro-5-[([2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]carbamoyl)amino]phenoxy]acetic acid P225 Clostridium perfringens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
IMP + NAD+ + H2O Cryptosporidium parvum
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Bacillus anthracis
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Pseudomonas aeruginosa
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Mycobacterium tuberculosis
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Campylobacter jejuni
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Mycolicibacterium thermoresistibile
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Clostridium perfringens
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Vibrio cholerae
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Listeria monocytogenes
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Bacillus anthracis Ames
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Mycolicibacterium thermoresistibile ATCC 19527
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Listeria monocytogenes ATCC BAA-679
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Mycobacterium tuberculosis H37Rv
-
XMP + NADH + H+
-
?
IMP + NAD+ + H2O Vibrio cholerae ATCC 39315
-
XMP + NADH + H+
-
?

Organism

Organism UniProt Comment Textmining
Bacillus anthracis
-
-
-
Bacillus anthracis A0A6L8P2U9
-
-
Bacillus anthracis Ames
-
-
-
Campylobacter jejuni A0A2R4D3F6
-
-
Clostridium perfringens A0A127ELD1
-
-
Cryptosporidium parvum
-
-
-
Listeria monocytogenes Q926Y9
-
-
Listeria monocytogenes ATCC BAA-679 Q926Y9
-
-
Mycobacterium tuberculosis P9WKI7
-
-
Mycobacterium tuberculosis H37Rv P9WKI7
-
-
Mycolicibacterium thermoresistibile G7CNL4
-
-
Mycolicibacterium thermoresistibile ATCC 19527 G7CNL4
-
-
Pseudomonas aeruginosa Q9HXM5
-
-
Vibrio cholerae Q9KTW3
-
-
Vibrio cholerae ATCC 39315 Q9KTW3
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
IMP + NAD+ + H2O
-
Cryptosporidium parvum XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Bacillus anthracis XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Pseudomonas aeruginosa XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Mycobacterium tuberculosis XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Campylobacter jejuni XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Mycolicibacterium thermoresistibile XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Clostridium perfringens XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Vibrio cholerae XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Listeria monocytogenes XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Bacillus anthracis Ames XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Mycolicibacterium thermoresistibile ATCC 19527 XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Listeria monocytogenes ATCC BAA-679 XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Mycobacterium tuberculosis H37Rv XMP + NADH + H+
-
?
IMP + NAD+ + H2O
-
Vibrio cholerae ATCC 39315 XMP + NADH + H+
-
?

Synonyms

Synonyms Comment Organism
guaB2
-
Mycobacterium tuberculosis
IMPDH
-
Cryptosporidium parvum
IMPDH
-
Bacillus anthracis
IMPDH
-
Pseudomonas aeruginosa
IMPDH
-
Mycobacterium tuberculosis
IMPDH
-
Campylobacter jejuni
IMPDH
-
Mycolicibacterium thermoresistibile
IMPDH
-
Clostridium perfringens
IMPDH
-
Vibrio cholerae
IMPDH
-
Listeria monocytogenes
inosine 5'-monophosphate dehydrogenase
-
Cryptosporidium parvum
inosine 5'-monophosphate dehydrogenase
-
Bacillus anthracis
inosine 5'-monophosphate dehydrogenase
-
Pseudomonas aeruginosa
inosine 5'-monophosphate dehydrogenase
-
Mycobacterium tuberculosis
inosine 5'-monophosphate dehydrogenase
-
Campylobacter jejuni
inosine 5'-monophosphate dehydrogenase
-
Mycolicibacterium thermoresistibile
inosine 5'-monophosphate dehydrogenase
-
Clostridium perfringens
inosine 5'-monophosphate dehydrogenase
-
Vibrio cholerae
inosine 5'-monophosphate dehydrogenase
-
Listeria monocytogenes

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Cryptosporidium parvum
NAD+
-
Bacillus anthracis
NAD+
-
Pseudomonas aeruginosa
NAD+
-
Mycobacterium tuberculosis
NAD+
-
Campylobacter jejuni
NAD+
-
Mycolicibacterium thermoresistibile
NAD+
-
Clostridium perfringens
NAD+
-
Vibrio cholerae
NAD+
-
Listeria monocytogenes

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000021
-
pH and temperature not specified in the publication Cryptosporidium parvum N-naphthalen-2-yl-N'-[2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl]urea
0.000004
-
pH and temperature not specified in the publication Cryptosporidium parvum 5-([[2-([1,1'-biphenyl]-3-yl)propan-2-yl]carbamoyl]amino)-2-chlorobenzamide
0.0001
-
pH and temperature not specified in the publication Cryptosporidium parvum (1H-naphtho[2,3-d]imidazol-2-yl)methyl 4-aminobenzoate
0.0009
-
pH and temperature not specified in the publication Cryptosporidium parvum 3-(1H-naphtho[2,3-d]imidazol-2-yl)propyl 4-aminobenzoate
0.0012
-
pH and temperature not specified in the publication Cryptosporidium parvum N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide
0.0014
-
pH and temperature not specified in the publication Cryptosporidium parvum 2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
0.0016
-
pH and temperature not specified in the publication Cryptosporidium parvum methyl 3-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
0.0016
-
pH and temperature not specified in the publication Cryptosporidium parvum N-(4-methoxyphenyl)-2-(naphthalen-1-yl)acetamide
0.0033
-
pH and temperature not specified in the publication Cryptosporidium parvum N-(4-chlorophenyl)-2-phenoxypropanamide
0.0054
-
pH and temperature not specified in the publication Cryptosporidium parvum N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide