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(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate)
29.96% activity remaining
1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
35.81% activity remaining
1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
47.50% activity remaining
10-(3,4-dimethoxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
24.76% activity remaining
2-(4-chlorobenzene-1-sulfonyl)-3-(methylsulfanyl)-3-[3-(trifluoromethyl)anilino]propanenitrile
1.59% activity remaining
2-(benzenesulfonyl)-3-(3-ethylanilino)-3-(methylsulfanyl)propanenitrile
-
2-(benzenesulfonyl)-3-(3-methoxyanilino)-3-(methylsulfanyl)propanenitrile
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2-(benzenesulfonyl)-3-(3-methylanilino)-3-(methylsulfanyl)propanenitrile
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2-(benzenesulfonyl)-3-(benzylsulfanyl)-3-[3-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-(ethylsulfanyl)-3-[3-(trifluoromethyl)anilino]propanenitrile
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2-(benzenesulfonyl)-3-(methylsulfanyl)-3-(3-nitroanilino)propanenitrile
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2-(benzenesulfonyl)-3-(methylsulfanyl)-3-(3-propylanilino)propanenitrile
-
2-(benzenesulfonyl)-3-(methylsulfanyl)-3-[2-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-(methylsulfanyl)-3-[3-(propan-2-yl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-(methylsulfanyl)-3-[3-(trifluoromethyl)anilino]propanenitrile
docking structure
2-(benzenesulfonyl)-3-(methylsulfanyl)-3-[4-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-(propylsulfanyl)-3-[3-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-[(3,3-dimethylcyclohexa-1,5-dien-1-yl)amino]-3-(methylsulfanyl)propanenitrile
-
2-(benzenesulfonyl)-3-[(prop-2-en-1-yl)sulfanyl]-3-[3-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-[(propan-2-yl)sulfanyl]-3-[3-(trifluoromethyl)anilino]propanenitrile
-
2-(benzenesulfonyl)-3-[[3,3-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]-3-(methylsulfanyl)propanenitrile
-
2-amino-3-[(E)-([2-[(4-chlorophenyl)sulfanyl]phenyl]methylidene)amino]butanedinitrile
46.29% activity remaining
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-3-nitro-4H,5H-pyrano[4,3-b]pyran-5-one
48.50% activity remaining
2-amino-5-(4-ethoxyphenyl)-5,11-dihydro-3H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-4,6-dione
48.87% activity remaining
2-ethoxyethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
31.80% activity remaining
2-iodo-5-[(4-methylphenyl)methyl]pyridin-3-ol
29.63% activity remaining
2-[(2-[[2-(3-fluoro-4-nitroanilino)-2-oxoethyl]sulfanyl]-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
43.56% activity remaining
2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl]-N-benzylacetamide
42.76% activity remaining
3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,3,6,7,8,9-hexahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-5-one
43.92% activity remaining
3-anilino-2-(4-chlorobenzene-1-sulfonyl)-3-(methylsulfanyl)propanenitrile
-
3-anilino-2-(benzenesulfonyl)-3-(methylsulfanyl)propanenitrile
-
3-[[2-(benzenesulfonyl)-2-cyano-1-(methylsulfanyl)ethyl]amino]benzonitrile
-
4-([[9-(3,4-dimethoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]methyl)benzoic acid
33.53% activity remaining
5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione
no activity remaining
5-(2,4-dichlorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-pyrano[2,3-a][4,7]phenanthrolin-4-one
42.23% activity remaining
7-(4-chlorophenyl)-1,7-dimethyl-N-[2-(morpholin-4-yl)ethyl]-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
32.08% activity remaining
7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-N-propyl-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
48.72% activity remaining
7-(4-fluorophenyl)-1,7-dimethyl-N-[3-(morpholin-4-yl)propyl]-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
47.73% activity remaining
AMP
-
ADP/phosphate-exchange
Ap3A
-
ADP/phosphate-exchange
Ca2+
-
weak, NDP-arsenolysis or NDP/phosphate-exchange reaction
Cd2+
-
only NDP-arsenolysis or NDP/phosphate-exchange reaction
Co2+
-
weak, NDP-arsenolysis or NDP/phosphate-exchange reaction
ethyl 4-[2,5-bis(sulfanylidene)-4,5-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
42.80% activity remaining
methyl 3-[[2-(benzenesulfonyl)-2-cyano-1-(methylsulfanyl)ethyl]amino]benzoate
-
methylsulfanylacrylonitril
-
-
Mn2+
-
weak, NDP-arsenolysis or NDP/phosphate-exchange reaction
p-hydroxymercuribenzoate
-
-
P1,P3-bis(5'-adenosyl) triphosphate with CCl2-bridge between P1 and P2
-
i.e. ApCCl2ppA
P1,P3-bis(5'-adenosyl) triphosphate with CHCl-bridge between P1 and P2
-
i.e. ApCHClppA
P1,P4-bis(5'-adenosyl) tetraphosphate
-
ADP/phosphate-exchange
[(5E)-5-[[2-(4-carbamoylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
28.09% activity remaining
Mg2+
-
only NDP-arsenolysis or NDP/phosphate-exchange reaction
Mg2+
-
inhibitory in presence of phosphate for ADP/phosphate exchange reaction
additional information
inhibitor library screening, cytotoxicity analysis, overview
-
additional information
-
inhibitor library screening, cytotoxicity analysis, overview
-
additional information
-
no inhibition by F- or adenosine 5'-tetraphosphate
-