Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 2.7.7.86 extracted from

  • Padilla-Salinas, R.; Sun, L.; Anderson, R.; Yang, X.; Zhang, S.; Chen, Z.J.; Yin, H.
    Discovery of small-molecule cyclic GMP-AMP synthase inhibitors (2020), J. Org. Chem., 85, 1579-1600 .
    View publication on PubMed
Search for more literature for 2.7.7.86

Inhibitors

Inhibitors Comment Organism Structure
(1R,2S)-2-(7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamido)cyclohexane-1-carboxylic acid PF-06928215, a commercial inhibitor Homo sapiens
(4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazin-2-yl)methanol
-
 Homo sapiens
(4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methanol
-
 Homo sapiens
1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
-
 Homo sapiens
3-[1-(6,7-dichloro-1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-pyrazol-4-yl]-3H-isobenzofuran-1-one RU-521 or RU.521 Homo sapiens
4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
-
 Homo sapiens
4-(dimethylamino)-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carbonitrile
-
 Homo sapiens
4-amino-6-((4-fluorophenyl)amino)-N-methyl-1,3,5-triazine-2-carboxamide
-
 Homo sapiens
4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylicacid
-
 Homo sapiens
4-amino-6-(4-fluoroanilino)-1,3,5-triazine-2-carboxylic acid
-
 Homo sapiens
4-amino-N-benzyl-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carboxamide
-
 Homo sapiens
4-[(4-fluorophenyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
-
 Homo sapiens
6-((4-fluorophenyl)amino)pyrimidine-4-carboxylic Acid
-
 Homo sapiens
6-(1H-benzo[d]imidazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(1H-indazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(1H-indol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(4-(2-aminophenyl)-1H-1,2,3-triazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(aminomethyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-(azidomethyl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
6-chloro-N2-(4-fluorophenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
7-methoxy-N9-methyl-N9-[3-[methyl(pyridin-4-yl)amino]propyl]acridine-3,9-diamine
-
 Homo sapiens
methyl 3-amino-5-((4-fluorophenyl)amino)benzoate
-
 Homo sapiens
methyl 4-(dimethylamino)-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((2-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((3,4,5-trifluorophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-(trifluoromethyl)phenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-ethynylphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-fluorophenyl)amino)picolinate
-
 Homo sapiens
methyl 4-amino-6-((4-hydroxyphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-((4-methoxyphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-(3,5-difluoro-4-iodoanilino)-1,3,5-triazine-2-carboxylate i.e. CU-76, selectively inhibits the DNA pathway in human cells but has no effect on the RIG-I-MAVS or Toll-like receptor pathways Homo sapiens
methyl 4-amino-6-(4-iodoanilino)-1,3,5-triazine-2-carboxylate i.e. CU-32, selectively inhibits the DNA pathway in human cells but has no effect on the RIG-I-MAVS or Toll-like receptor pathways Homo sapiens
methyl 4-amino-6-(phenylamino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-amino-6-[(3,5-difluoro-4-iodophenyl)amino]-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
methyl 4-[(4-fluorophenyl)amino]-6-(methylamino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
additional information discovery of small-molecule cyclic GMP-AMP synthase inhibitors, sceening and molecular docking study using structure PDB ID 4O6A, overview Homo sapiens
N-2-(4-iodophenyl)-6-(1,3,4-oxadiazol-2-yl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
N-[2-(1-(4-amino-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl)phenyl]methanesulfonamide
-
 Homo sapiens
N2-(4-fluorophenyl)-6-(methoxymethyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
N2-(4-iodophenyl)-6-(1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol
-
 Homo sapiens 5829
-

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + GTP Homo sapiens overall reaction 2 diphosphate + cyclic Gp(2'-5')Ap(3'-5')
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens Q8N884
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + GTP overall reaction Homo sapiens 2 diphosphate + cyclic Gp(2'-5')Ap(3'-5')
-
 ?

Synonyms

Synonyms Comment Organism
cGAS
-
 Homo sapiens
cyclic guanosine monophosphate-adenosine monophosphate synthase
-
 Homo sapiens
hcGAS
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00023
-
 pH 7.5, 37°C Homo sapiens 6-(4-(2-aminophenyl)-1H-1,2,3-triazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
0.00024 0.00027 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((3,4,5-trifluorophenyl)amino)-1,3,5-triazine-2-carboxylate
0.00045 0.00066 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
0.00059
-
 pH 7.5, 37°C Homo sapiens 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylicacid
0.0014
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-ethynylphenyl)amino)-1,3,5-triazine-2-carboxylate
0.0015
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-[(3,5-difluoro-4-iodophenyl)amino]-1,3,5-triazine-2-carboxylate
0.0023
-
 pH 7.5, 37°C Homo sapiens 6-(aminomethyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
0.0025
-
 pH 7.5, 37°C Homo sapiens N-2-(4-iodophenyl)-6-(1,3,4-oxadiazol-2-yl)-1,3,5-triazine-2,4-diamine
0.0034
-
 pH 7.5, 37°C Homo sapiens N2-(4-iodophenyl)-6-(1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diamine
0.0038
-
 pH 7.5, 37°C Homo sapiens 4-amino-6-(4-fluoroanilino)-1,3,5-triazine-2-carboxylic acid
0.0039
-
 pH 7.5, 37°C Homo sapiens (4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazin-2-yl)methanol
0.0043
-
 pH 7.5, 37°C Homo sapiens (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methanol
0.0045
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-methoxyphenyl)amino)-1,3,5-triazine-2-carboxylate
0.005
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-(phenylamino)-1,3,5-triazine-2-carboxylate
0.0087
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-hydroxyphenyl)amino)-1,3,5-triazine-2-carboxylate
0.0131
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((2-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
0.0149
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-(trifluoromethyl)phenyl)amino)-1,3,5-triazine-2-carboxylate
0.1
-
 pH 7.5, 37°C Homo sapiens 6-(azidomethyl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine

Expression

Organism Comment Expression
Homo sapiens DNA from either invading microbes or self-origin triggers the enzymatic activity of cGAS up

General Information

General Information Comment Organism
malfunction aberrant activation of cGAS is associated with various autoimmune disorders Homo sapiens
physiological function GMP-AMP synthase (cGAS) is a cytosolic DNA sensor and plays an important role in the type I interferon response. DNA from either invading microbes or self-origin triggers the enzymatic activity of cGAS Homo sapiens