Please wait a moment until all data is loaded. This message will disappear when all data is loaded.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-5-fluorobenzonitrile
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-diethylacetamide
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-dimethylacetamide
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-ethyl-N-methylpropanamide
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-isobutylacetamide
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-methylacetamide
2-Amino-4-hydroxy-6-carboxydihydropteridine
-
competitive with 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine
2-amino-6-[(2-[4-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-ylmethylsulfanyl]-piperidin-1-yl]-ethylamino)-methyl]-3H-pteridin-4-one
-
2-amino-6-[(2-[4-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-ylmethylsulfanyl]-piperidin-1-yl]-ethylamino)-methyl]-7,7-dimethyl-7,8-dihydro-3H-pteridin-4-one
-
2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydro-pteridine-6-carboxylic acid (2-(2-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethanesulfonyl]-thylcarbamoyl)-ethyl)-amide
2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydro-pteridine-6-carboxylic acid (2-(2-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethanesulfonyl]-thylcarbamoyl)-ethyl)-amide, structure of the enzyme complex with HP-26. HP-26 has significant isozyme selectivity. HP-26 is an excellent lead for developing therapeutic agents for tularemia
2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydro-pteridine-6-carboxylic acid (2-[4-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethylsulfanyl]-piperidin-1-yl]-ethyl)-amide
-
2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid (2-[2-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethanesulfonyl]-ethylcarbamoyl]-ethyl)-amide
about 45% residual activity at 0.01 mM, about 30% residual activity at 0.02 mM, about 15% residual activity at 0.05 mM, almost complete inhibition at 0.1 mM
2-amino-8-((2,3-dihydroxypropyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2,3-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2,6-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-(2-oxopyrrolidin-1-yl)ethyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-(4-bromophenyl)-2-oxoethyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2-fluoro-4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-fluoro-5-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((2-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-hydroxyethyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-methoxyethyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((2-oxo-2-phenylethyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((3,3,3-trifluoro-2-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3,5-bis(trifluoromethyl)benzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((3-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((3-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((4-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((4-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((4-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((4-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((4-fluoro-2-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((4-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
2-amino-8-((4-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-((4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
2-amino-8-(2-oxo-2-phenylethoxy)-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-(benzylthio)-1,9-dihydro-6H-purin-6-one
2-amino-8-hydroxy-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(2-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(3-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(4-fluorophenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(4-hydroxyphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(4-methoxyphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[2-(4-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
-
2-amino-8-[[(2-fluorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
compound shows high binding affinity. The guanine moiety interacts with the binding pocket residues through hydrogen bond interaction with residues T43, A44, V46, N56, R121 and is further stabilized by pi-stacking interaction between the aromatic rings of F54 and F123
2-amino-8-[[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
compound forms hydrogen bond and pi-pi interactions between the guanine moiety and the binding site residues. The imidazole-NH forms a hydrogen bond interaction with residue V46. The atoms in the pyrimidine ring interact with a cluster of residues including T43, A44, V46, F54, N56 and F123
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzoic acid
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-3-fluorobenzonitrile
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
4-[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-8-yl)methyl]benzonitrile
-
4-[[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-8-yl)oxy]acetyl]benzonitrile
-
5'-(1-[2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl]-2-carboxypiperidine-4-sulfonyl)-5'-deoxyadenosine
bisubstrate inhibitor, Kd value is 0.000047 microM, compound is not sufficiently stable under the experimental conditions
5'-S-(1-[2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl]-2-carboxypiperidin-4-yl)-5'-thioadenosine
bisubstrate inhibitor, the carboxylic group in the piperidine system mimics the gamma-phosphate of AMPCPP and the carboxylic group interacts with the side chains of H115, Y116, and R121
5'-S-[1-(2-([(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino)ethyl)piperidin-4-yl]-5'-thioadenosine
5'-S-[1-(2-([(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino)ethyl)piperidin-4-yl]-5'-thioadenosine, structure of the enzyme complex with HP-18. HP-18 has significant isozyme selectivity
5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
-
5-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-2-fluorobenzonitrile
6-hydroxymethyl-7,7-dimethyl-7,8-dihydropterin
-
6-hydroxymethyl-7,8-dihydropterin diphosphate
-
competitive inhibitor of ATP, mixed type inhibitor of 6-hydroxymethyl-7,8-dihydropteridine
6-hydroxymethyl-7-methyl-7-phenethyl-7,8-dihydropterin
-
8-((2-(1,3-dioxan-2-yl)ethyl)thio)-2-amino-1,9-dihydro-6Hpurin-6-one
8-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-2-amino-1,9-dihydro-6H-purin-6-one
alpha,beta-methyleneadenosine triphosphate
competitive with respect to ATP
Guanidine-HCl
-
0.25 M, 50% inhibitioin
KCl
-
activation at 0.4 M, inhibition at higher concentration
NaCl
-
activation at 0.2 M, inhibition at higher concentration
P1-(6-hydroxymethylpterin)-P2-(5'-adenosyl)diphosphate
-
P1-(6-hydroxymethylpterin)-P3-(5'-adenosyl)triphosphate
-
P1-(6-hydroxymethylpterin)-P4-(5'-adenosyl)tetraphosphate
-
Pteroate
inhibition of dihydropteroate synthase activity
sulfadimethoxine
inhibition of dihydropteroate synthase activity
sulfamethazine
inhibition of dihydropteroate synthase activity
sulfamonomethoxine
inhibition of dihydropteroate synthase activity
Urea
-
0.9 M, 50% inhibition
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-5-fluorobenzonitrile
-
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-5-fluorobenzonitrile
-
-
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
2-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-diethylacetamide
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-diethylacetamide
-
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-dimethylacetamide
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N,N-dimethylacetamide
-
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-ethyl-N-methylpropanamide
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-ethyl-N-methylpropanamide
-
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-isobutylacetamide
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-isobutylacetamide
-
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-methylacetamide
-
2-((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-methylacetamide
-
-
2-amino-8-((2,3-dihydroxypropyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2,3-dihydroxypropyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2,3-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2,3-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2,6-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2,6-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-(2-oxopyrrolidin-1-yl)ethyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-(2-oxopyrrolidin-1-yl)ethyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-(4-bromophenyl)-2-oxoethyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-(4-bromophenyl)-2-oxoethyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2-fluoro-4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-fluoro-4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-fluoro-5-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2-fluoro-5-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((2-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-hydroxyethyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-hydroxyethyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-methoxyethyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-methoxyethyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((2-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((2-oxo-2-phenylethyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((2-oxo-2-phenylethyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((3,3,3-trifluoro-2-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3,3,3-trifluoro-2-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3,5-bis(trifluoromethyl)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3,5-bis(trifluoromethyl)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((3,5-dimethylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((3-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-hydroxypropyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((3-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((3-nitrobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((4-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((4-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((4-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((4-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((4-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((4-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((4-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((4-chlorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((4-fluoro-2-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((4-fluoro-2-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((4-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
2-amino-8-((4-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6Hpurin-6-one
-
-
2-amino-8-((4-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((4-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-((4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-((4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-one
-
-
2-amino-8-(benzylthio)-1,9-dihydro-6H-purin-6-one
-
2-amino-8-(benzylthio)-1,9-dihydro-6H-purin-6-one
-
-
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzoic acid
-
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzoic acid
-
-
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
3-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
-
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-3-fluorobenzonitrile
-
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-3-fluorobenzonitrile
-
-
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
4-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-benzonitrile
-
-
5-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-2-fluorobenzonitrile
-
5-(((2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)methyl)-2-fluorobenzonitrile
-
-
8-((2-(1,3-dioxan-2-yl)ethyl)thio)-2-amino-1,9-dihydro-6Hpurin-6-one
-
8-((2-(1,3-dioxan-2-yl)ethyl)thio)-2-amino-1,9-dihydro-6Hpurin-6-one
-
-
8-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-2-amino-1,9-dihydro-6H-purin-6-one
-
8-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-2-amino-1,9-dihydro-6H-purin-6-one
-
-
8-mercaptoguanine
-
dapsone
inhibition of dihydropteroate synthase activity
sulfadoxine
-
competitive, moderately potent
sulfadoxine
inhibition of dihydropteroate synthase activity
sulfamethoxazole
inhibition of dihydropteroate synthase activity
sulfathiazole
-
competitive
sulfathiazole
inhibition of dihydropteroate synthase activity
additional information
identification of several enzyme inhibitors that contain an aryl substituted 8-thioguanine scaffold. The compounds engage the enzyme pterin-binding pocket and an induced cryptic pocket, preliminary structure activity relationship profile, binding structures, overview
-
additional information
synthesis of a series of S-functionalized 8-mercaptoguanine analogues as substrate-site inhibitors of enzyme HPPK, binding structure analysis, and comparison of inhibition efficiency with the enzymes from Staphylococcus aureus and Escherichia coli, KD values, overview
-
additional information
-
synthesis of a series of S-functionalized 8-mercaptoguanine analogues as substrate-site inhibitors of enzyme HPPK, binding structure analysis, and comparison of inhibition efficiency with the enzymes from Staphylococcus aureus and Escherichia coli, KD values, overview
-
additional information
-
structure-based design and development of functionalized mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin diphosphokinase from Staphylococcus aureus, binding of an S8-functionalized derivative of 8-mercaptoguanine, overview. Synthesis and binding analysis of a set of analogues including a compound displaying over 20fold higher affinity for SaHPPK than 8-mercaptoguanine. A number of the compounds exhibit low micromolar affinity for dihydropteroate synthase (DHPS, EC 2.5.1.15), the adjacent, downstream enzyme to HPPK, and may thus represent bienzyme inhibitors
-
additional information
-
synthesis of a series of S-functionalized 8-mercaptoguanine analogues as substrate-site inhibitors of enzyme HPPK, binding structure analysis, and comparison of inhibition efficiency with the enzymes from Staphylococcus aureus and Escherichia coli, KD values, overview
-