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Literature summary for 2.5.1.18 extracted from

  • Dai, W.; Samanta, S.; Xue, D.; Petrunak, E.M.; Stuckey, J.A.; Han, Y.; Sun, D.; Wu, Y.; Neamati, N.
    Structure-based design of N-(5-phenylthiazol-2-yl)acrylamides as novel and potent glutathione S-transferase omega 1 inhibitors (2019), J. Med. Chem., 62, 3068-3087 .
    View publication on PubMed
Search for more literature for 2.5.1.18

Cloned(Commentary)

Cloned (Comment) Organism
-
 Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
sitting drop vapor diffusion method, using 100 mM MES pH 6.5, 25% (w/v) poly(ethylene glycol) 3350, and 3% (v/v) methanol Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
-
 Homo sapiens
1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
-
 Homo sapiens
2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid
-
 Homo sapiens
2-chloro-N,N-dimethyl-5-(vinylsulfonamido)-benzenesulfonamide
-
 Homo sapiens
2-chloro-N-(4-(2-hydroxyphenyl)thiazol-2-yl)-N-((3-methylisoxazol-5-yl)methyl)acetamide
-
 Homo sapiens
2-chloro-N-methyl-N-[(1-phenyl-1H-pyrazol-3-yl)methyl]acetamide i.e. C4-10 Homo sapiens
2-chloro-N-[2-(cyclohexylamino)-2-oxo-1-(pyridin-2-yl)ethyl]-N-(3-fluorophenyl)acetamide i.e. KT53 Homo sapiens
2-chloro-N-[4-chloro-3-(N,N-dimethylsulfamoyl)phenyl]acetamide i.e. C1-27 Homo sapiens
2-fluoro-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-5-(oxiran-2-yl)benzene-1-sulfonamide i.e. CRID2 Homo sapiens
5-(chloromethyl)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-3',6'-diyl diacetate i.e. CMFDA Homo sapiens
ethyl 2-acrylamido-4-phenylthiazole-5-carboxylate
-
 Homo sapiens
ethyl 2-acrylamido-4-phenylthiophene-3-carboxylate
-
 Homo sapiens
ethyl 2-acrylamido-5-phenylthiophene-3-carboxylate
-
 Homo sapiens
ethyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
-
 Homo sapiens
methyl (E)-4-((4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-amino)but-2-enoate
-
 Homo sapiens
methyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
-
 Homo sapiens
N-((3-methylisoxazol-5-yl )methyl)-N-(4-(4-chloro-2-hydroxylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-((3-methylisoxazol-5-yl)methyl)-N-(4-(2-hydroxylphenyl)-thiazol-2-yl)acrylamide
-
 Homo sapiens
N-((3-methylisoxazol-5-yl)methyl)-N-(4-(2-methoxyphenyl)-thiazol-2-yl)acrylamide
-
 Homo sapiens
N-((3-methylisoxazol-5-yl)methyl)-N-(4-(4-fluoro-2-hydroxylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-((3-methylisoxazol-5-yl)methyl)-N-(4-(4-trifluoromethylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-((3-methylisoxazol-5-yl)methyl)-N-(4-phenylthiazol-2-yl)-acrylamide
-
 Homo sapiens
N-(1-benzyl-1H-pyrazol-4-yl)acrylamide
-
 Homo sapiens
N-(1-phenyl-1H-pyrazol-4-yl)acrylamide
-
 Homo sapiens
N-(2-((2-morpholinoethyl)amino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)acrylamide
-
 Homo sapiens
N-(2-(cyclohexylamino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
-
 Homo sapiens
N-(2-(oxetan-3-ylamino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
-
 Homo sapiens
N-(2-morpholino-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
-
 Homo sapiens
N-(4-(2-chlorophenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(2-fluorophenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(2-hydroxylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(2-hydroxyphenyl)thiophen-2-yl)-N-((3-methylisoxazol-5-yl)methyl)acrylamide
-
 Homo sapiens
N-(4-(2-methoxyphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(3,4-dioxylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(3-chlorophenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(4-chlorophenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(4-hydroxylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(4-methoxyphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(4-methylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(4-trifluoromethylphenyl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-(naphthalen-2-yl)thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)acrylamide
-
 Homo sapiens
N-(4-phenyl-5-methyl-thiazol-2-yl)acrylamide
-
 Homo sapiens
N-(4-phenylthiazol-2-yl)-N-(pyridin-3-ylmethyl)acrylamide
-
 Homo sapiens
N-(4-phenylthiazol-2-yl)acrylamide
-
 Homo sapiens
N-(5-phenylthiazol-2-yl)acrylamide
-
 Homo sapiens
N-acryloyl-N-(4-phenylthiazol-2-yl)glycine
-
 Homo sapiens
N-benzyl-N-(4-phenylthiazol-2-yl)acrylamide
-
 Homo sapiens
N-[3-[(chloroacetyl)(4-nitrophenyl)amino]propyl]-2,2,2-trifluoroacetamide i.e. ML175 Homo sapiens
tert-butyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
-
 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P78417
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Homo sapiens

Source Tissue

Source Tissue Comment Organism Textmining
colonic cancer cell
-
 Homo sapiens
-
HCT-116 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
S-(4-nitrophenacyl)-glutathione
-
 Homo sapiens 4-nitroacetophenone + glutathione
-
 ?

Synonyms

Synonyms Comment Organism
glutathione S-transferase omega 1
-
 Homo sapiens
GSTO1-1
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00000022
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl)methyl)-N-(4-(2-hydroxylphenyl)-thiazol-2-yl)acrylamide
0.00000032
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl )methyl)-N-(4-(4-chloro-2-hydroxylphenyl)thiazol-2-yl)acrylamide
0.0000056
-
 at pH 8.0 and 37°C Homo sapiens 2-chloro-N-(4-(2-hydroxyphenyl)thiazol-2-yl)-N-((3-methylisoxazol-5-yl)methyl)acetamide
0.000021
-
 at pH 8.0 and 37°C Homo sapiens 2-chloro-N-[4-chloro-3-(N,N-dimethylsulfamoyl)phenyl]acetamide
0.000025
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl)methyl)-N-(4-(4-trifluoromethylphenyl)thiazol-2-yl)acrylamide
0.00003
-
 at pH 8.0 and 37°C Homo sapiens N-(2-(oxetan-3-ylamino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
0.00004
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl)methyl)-N-(4-(4-fluoro-2-hydroxylphenyl)thiazol-2-yl)acrylamide
0.000051
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl)methyl)-N-(4-phenylthiazol-2-yl)-acrylamide
0.00008
-
 at pH 8.0 and 37°C Homo sapiens N-(2-(cyclohexylamino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
0.00015
-
 at pH 8.0 and 37°C Homo sapiens tert-butyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
0.00017
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(4-chlorophenyl)thiazol-2-yl)acrylamide
0.00019
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(2-hydroxyphenyl)thiophen-2-yl)-N-((3-methylisoxazol-5-yl)methyl)acrylamide
0.00022
-
 at pH 8.0 and 37°C Homo sapiens ethyl 2-acrylamido-5-phenylthiophene-3-carboxylate
0.00023
-
 at pH 8.0 and 37°C Homo sapiens N-(2-((2-morpholinoethyl)amino)-2-oxoethyl)-N-(4-phenylthiazol-2-yl)acrylamide
0.00027
-
 at pH 8.0 and 37°C Homo sapiens ethyl 2-acrylamido-4-phenylthiazole-5-carboxylate
0.0003
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(4-trifluoromethylphenyl)thiazol-2-yl)acrylamide
0.00036
-
 at pH 8.0 and 37°C Homo sapiens N-((3-methylisoxazol-5-yl)methyl)-N-(4-(2-methoxyphenyl)-thiazol-2-yl)acrylamide
0.00037
-
 at pH 8.0 and 37°C Homo sapiens methyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
0.0004
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(naphthalen-2-yl)thiazol-2-yl)acrylamide
0.00047
-
 at pH 8.0 and 37°C Homo sapiens N-(4-phenylthiazol-2-yl)acrylamide
0.00053
-
 at pH 8.0 and 37°C Homo sapiens N-(2-morpholino-2-oxoethyl)-N-(4-phenylthiazol-2-yl)-acrylamide
0.00057
-
 at pH 8.0 and 37°C Homo sapiens ethyl N-acryloyl-N-(4-phenylthiazol-2-yl)glycinate
0.0006
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(3-chlorophenyl)thiazol-2-yl)acrylamide
0.00072
-
 at pH 8.0 and 37°C Homo sapiens N-benzyl-N-(4-phenylthiazol-2-yl)acrylamide
0.00074
-
 at pH 8.0 and 37°C Homo sapiens N-(4-phenylthiazol-2-yl)-N-(pyridin-3-ylmethyl)acrylamide
0.00081
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(4-methylphenyl)thiazol-2-yl)acrylamide
0.00086
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(2-hydroxylphenyl)thiazol-2-yl)acrylamide
0.00088
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(2-chlorophenyl)thiazol-2-yl)acrylamide
0.00101
-
 at pH 8.0 and 37°C Homo sapiens ethyl 2-acrylamido-4-phenylthiophene-3-carboxylate
0.00103
-
 at pH 8.0 and 37°C Homo sapiens N-(5-phenylthiazol-2-yl)acrylamide
0.00122
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(3,4-dioxylphenyl)thiazol-2-yl)acrylamide
0.00129
-
 at pH 8.0 and 37°C Homo sapiens 2-chloro-N,N-dimethyl-5-(vinylsulfonamido)-benzenesulfonamide
0.00158
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(2-fluorophenyl)thiazol-2-yl)acrylamide
0.00204
-
 at pH 8.0 and 37°C Homo sapiens N-acryloyl-N-(4-phenylthiazol-2-yl)glycine
0.00311
-
 at pH 8.0 and 37°C Homo sapiens N-(4-phenyl-5-methyl-thiazol-2-yl)acrylamide
0.00314
-
 at pH 8.0 and 37°C Homo sapiens N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)acrylamide
0.00449
-
 at pH 8.0 and 37°C Homo sapiens N-(4-(4-methoxyphenyl)thiazol-2-yl)acrylamide
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens 1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens 1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens methyl (E)-4-((4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-amino)but-2-enoate
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens N-(1-benzyl-1H-pyrazol-4-yl)acrylamide
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens N-(1-phenyl-1H-pyrazol-4-yl)acrylamide
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens N-(4-(2-methoxyphenyl)thiazol-2-yl)acrylamide
0.01
-
 IC50 above 0.01 mM, at pH 8.0 and 37°C Homo sapiens N-(4-(4-hydroxylphenyl)thiazol-2-yl)acrylamide