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Literature summary 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

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.7.86 (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
2.7.7.86 (4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazin-2-yl)methanol
-
 Homo sapiens
2.7.7.86 (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methanol
-
 Homo sapiens
2.7.7.86 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
2.7.7.86 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
2.7.7.86 4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
-
 Homo sapiens
2.7.7.86 4-(dimethylamino)-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carbonitrile
-
 Homo sapiens
2.7.7.86 4-amino-6-((4-fluorophenyl)amino)-N-methyl-1,3,5-triazine-2-carboxamide
-
 Homo sapiens
2.7.7.86 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylicacid
-
 Homo sapiens
2.7.7.86 4-amino-6-(4-fluoroanilino)-1,3,5-triazine-2-carboxylic acid
-
 Homo sapiens
2.7.7.86 4-amino-N-benzyl-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carboxamide
-
 Homo sapiens
2.7.7.86 4-[(4-fluorophenyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
-
 Homo sapiens
2.7.7.86 6-((4-fluorophenyl)amino)pyrimidine-4-carboxylic Acid
-
 Homo sapiens
2.7.7.86 6-(1H-benzo[d]imidazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(1H-indazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(1H-indol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(4-(2-aminophenyl)-1H-1,2,3-triazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(aminomethyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-(azidomethyl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 6-chloro-N2-(4-fluorophenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 7-methoxy-N9-methyl-N9-[3-[methyl(pyridin-4-yl)amino]propyl]acridine-3,9-diamine
-
 Homo sapiens
2.7.7.86 methyl 3-amino-5-((4-fluorophenyl)amino)benzoate
-
 Homo sapiens
2.7.7.86 methyl 4-(dimethylamino)-6-((4-fluorophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((2-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((3,4,5-trifluorophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-(trifluoromethyl)phenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-ethynylphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-fluorophenyl)amino)picolinate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-hydroxyphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-((4-methoxyphenyl)amino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 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
2.7.7.86 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
2.7.7.86 methyl 4-amino-6-(phenylamino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-amino-6-[(3,5-difluoro-4-iodophenyl)amino]-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 methyl 4-[(4-fluorophenyl)amino]-6-(methylamino)-1,3,5-triazine-2-carboxylate
-
 Homo sapiens
2.7.7.86 additional information discovery of small-molecule cyclic GMP-AMP synthase inhibitors, sceening and molecular docking study using structure PDB ID 4O6A, overview Homo sapiens
2.7.7.86 N-2-(4-iodophenyl)-6-(1,3,4-oxadiazol-2-yl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 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
2.7.7.86 N2-(4-fluorophenyl)-6-(methoxymethyl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens
2.7.7.86 N2-(4-iodophenyl)-6-(1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diamine
-
 Homo sapiens

Localization

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

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.7.7.86 Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

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

Organism

EC Number Organism UniProt Comment Textmining
2.7.7.86 Homo sapiens Q8N884
-
-

Substrates and Products (Substrate)

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

Synonyms

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

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.7.7.86 37
-
 assay at Homo sapiens

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.7.7.86 7.5
-
 assay at Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.7.86 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
2.7.7.86 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
2.7.7.86 0.00045 0.00066 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.00059
-
 pH 7.5, 37°C Homo sapiens 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylicacid
2.7.7.86 0.0014
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-ethynylphenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 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
2.7.7.86 0.0023
-
 pH 7.5, 37°C Homo sapiens 6-(aminomethyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
2.7.7.86 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
2.7.7.86 0.0034
-
 pH 7.5, 37°C Homo sapiens N2-(4-iodophenyl)-6-(1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diamine
2.7.7.86 0.0038
-
 pH 7.5, 37°C Homo sapiens 4-amino-6-(4-fluoroanilino)-1,3,5-triazine-2-carboxylic acid
2.7.7.86 0.0039
-
 pH 7.5, 37°C Homo sapiens (4-amino-6-((4-fluorophenyl)(methyl)amino)-1,3,5-triazin-2-yl)methanol
2.7.7.86 0.0043
-
 pH 7.5, 37°C Homo sapiens (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methanol
2.7.7.86 0.0045
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-methoxyphenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.005
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-(phenylamino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.0087
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-hydroxyphenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.0131
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((2-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.0149
-
 pH 7.5, 37°C Homo sapiens methyl 4-amino-6-((4-(trifluoromethyl)phenyl)amino)-1,3,5-triazine-2-carboxylate
2.7.7.86 0.1
-
 pH 7.5, 37°C Homo sapiens 6-(azidomethyl)-N2-(4-iodophenyl)-1,3,5-triazine-2,4-diamine

Expression

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

General Information

EC Number General Information Comment Organism
2.7.7.86 malfunction aberrant activation of cGAS is associated with various autoimmune disorders Homo sapiens
2.7.7.86 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