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2 biopterin + 3 NADPH + 3 H+
dihydrobiopterin + tetrahydrobiopterin + 3 NADP+
6-biopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
biopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
biopterin + NADPH + H+
dihydrobiopterin + NADP+
dihydrobiopterin + NADPH
5,6,7,8-tetrahydrobiopterin + NADP+
Dihydrobiopterin + NADPH
?
dihydrobiopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
Dihydrofolate + NADPH
5,6,7,8-Tetrahydrofolate + NADP+
Dihydroneopterin + NADPH
?
dihydrosepiapterin + NADPH
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
folate + NADPH + H+
7,8-dihydrofolate + tetrahydrofolate + NADP+
quinonoid 6,7-dimethyl-7,8-dihydropterin + NADPH + H+
?
quinonoid dihydrobiopterin + NADPH + H+
tetrahydrobiopterin + NADP+
additional information
?
-
2 biopterin + 3 NADPH + 3 H+

dihydrobiopterin + tetrahydrobiopterin + 3 NADP+
essential enzyme of pterin and folate metabolism
-
-
?
2 biopterin + 3 NADPH + 3 H+
dihydrobiopterin + tetrahydrobiopterin + 3 NADP+
-
salvage of pterins, enzyme acts as a metabolic bypass for drugs targeting dihydrofolate reductase, PTR1 contributes about 10% of the reduction of folates in wild-type cells while the remaining 90% is due to the activity of dihydrofolate reductase-thymidylate synthase (EC 1.5.1.3)
-
-
?
6-biopterin + NADPH + H+

5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
?
6-biopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+

5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
-
-
?
biopterin + 2 NADPH + 2 H+
5,6,7,8-tetrahydrobiopterin + 2 NADP+
-
substrate binding structure
-
-
?
Biopterin + NADPH

5,6,7,8-Tetrahydrobiopterin + NADP+
-
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
-
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
activity with NADH is less than 5% of the activity with NADPH
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
-
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
2-step reaction via intermediate 7,8-dihydrobiopterin
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
-
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
no activity with NADH and NADP+
-
-
?
Biopterin + NADPH
5,6,7,8-Tetrahydrobiopterin + NADP+
-
no activity with NADH and NADP+
-
-
?
biopterin + NADPH + H+

5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
-
?
biopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
?
biopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
-
?
biopterin + NADPH + H+

dihydrobiopterin + NADP+
-
-
-
-
?
biopterin + NADPH + H+
dihydrobiopterin + NADP+
-
-
-
-
?
dihydrobiopterin + NADPH

5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
-
?
dihydrobiopterin + NADPH
5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
r
Dihydrobiopterin + NADPH

?
-
-
-
-
?
Dihydrobiopterin + NADPH
?
-
-
-
-
?
Dihydrobiopterin + NADPH
?
-
-
-
-
?
Dihydrobiopterin + NADPH
?
-
-
-
-
?
dihydrobiopterin + NADPH + H+

5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
-
?
dihydrobiopterin + NADPH + H+
5,6,7,8-tetrahydrobiopterin + NADP+
-
-
-
-
?
Dihydrofolate + NADPH

5,6,7,8-Tetrahydrofolate + NADP+
-
-
-
-
?
Dihydrofolate + NADPH
5,6,7,8-Tetrahydrofolate + NADP+
-
-
-
?
Dihydrofolate + NADPH
5,6,7,8-Tetrahydrofolate + NADP+
-
-
-
-
?
Dihydrofolate + NADPH
5,6,7,8-Tetrahydrofolate + NADP+
-
-
-
-
?
Dihydrofolate + NADPH
5,6,7,8-Tetrahydrofolate + NADP+
-
-
-
-
?
Dihydroneopterin + NADPH

?
-
-
-
-
?
Dihydroneopterin + NADPH
?
-
-
-
-
?
Dihydroneopterin + NADPH
?
-
no activity
-
-
?
dihydrosepiapterin + NADPH

?
-
-
-
-
?
dihydrosepiapterin + NADPH
?
-
-
-
-
?
dihydrosepiapterin + NADPH
?
-
no activity
-
-
?
folate + NADPH

5,6,7,8-tetrahydrofolate + NADP+
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH
5,6,7,8-tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH + H+

7,8-dihydrofolate + tetrahydrofolate + NADP+
-
-
-
-
?
folate + NADPH + H+
7,8-dihydrofolate + tetrahydrofolate + NADP+
essential enzyme of pterin and folate metabolism
-
-
?
quinonoid 6,7-dimethyl-7,8-dihydropterin + NADPH + H+

?
-
-
-
-
?
quinonoid 6,7-dimethyl-7,8-dihydropterin + NADPH + H+
?
-
-
-
-
?
quinonoid dihydrobiopterin + NADPH + H+

tetrahydrobiopterin + NADP+
-
-
-
-
?
quinonoid dihydrobiopterin + NADPH + H+
tetrahydrobiopterin + NADP+
-
-
-
-
?
additional information

?
-
enzyme is associated with folate metabolism, responsible for salvage of pterins and reduction of folates
-
-
?
additional information
?
-
-
enzyme is associated with folate metabolism, responsible for salvage of pterins and reduction of folates
-
-
?
additional information
?
-
NADPH binds first, the enzyme-NADPH complex binds the substrate
-
-
?
additional information
?
-
-
NADPH binds first, the enzyme-NADPH complex binds the substrate
-
-
?
additional information
?
-
-
no activity with quinoid dihydrobiopterin
-
-
?
additional information
?
-
-
primary enzyme mediating pteridine salvage
-
-
?
additional information
?
-
-
the enzyme mediates the synthesis of tetrahydropteridines
-
-
?
additional information
?
-
essential for the salvage of pterins
-
-
?
additional information
?
-
-
essential for the salvage of pterins
-
-
?
additional information
?
-
-
thermal shift enzyme assay optimization
-
-
?
additional information
?
-
-
the enzyme mediates the synthesis of tetrahydropteridines
-
-
?
additional information
?
-
enzyme is used by the organism to bypass antifolate inhibition, catalytic pathway
-
-
?
additional information
?
-
-
enzyme is used by the organism to bypass antifolate inhibition, catalytic pathway
-
-
?
additional information
?
-
-
the enzyme is involved in the resistance to the methotrexate, aminopterin and trimethoprim antifolates
-
-
?
additional information
?
-
-
essential for the salvage of pterins
-
-
?
additional information
?
-
-
the enzyme is involved in the resistance to the methotrexate, aminopterin and trimethoprim antifolates
-
-
?
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(2-amino-2,3-dihydro-1H-benzimidazol-1-yl)(phenyl)methanone
-
-
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
-
-
(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
-
-
(2E,4E,12E)-13-(benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide
-
-
(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
-
-
(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
-
treatment with 98 microM resulted in reduction of viable cells from 96.5% (control) to 9.86% after 5 h
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid
(Z)-5-(2,4-dichlorobenzylidene)-thiazolidine-2,4-dione
-
-
(Z)-5-(2-bromo-5-methoxybenzylidene)-thiazolidine-2,4-dione
-
-
(Z)-5-(2-bromo-6-fluorobenzylidene)-thiazolidine-2,4-dione
-
-
(Z)-5-(2-hydroxy-3-bromo-5-chlorobenzylidene)-thiazolidine-2,4-dione
-
a noncompetitive inhibitor that binds in the same site as the cofactor
(Z)-5-(2-hydroxy-5-chlorobenzylidene)-thiazolidine-2,4-dione
-
-
1-(2,5-dichlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(2-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(2-fluorobenzyl)-1H-benzimidazol-2-amine
-
-
1-(2-methylbenzyl)-1H-benzimidazol-2-amine
-
-
1-(2-phenylethyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-4-methoxy-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-4-phenyl-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-4-propoxy-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-7-methoxy-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
-
-
1-(3,4-dichlorobenzyl)-7-propoxy-1H-benzimidazol-2-amine
-
-
1-(3,4-methylenedioxyphenyl)-(1E)-tetradecene
-
-
1-(3,5-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
1-(3-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(4-bromobenzyl)-1H-benzimidazol-2-amine
-
-
1-(4-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-(4-methylbenzyl)-1H-benzimidazol-2-amine
-
-
1-(4-tert-butylbenzyl)-1H-benzimidazol-2-amine
-
-
1-(naphthalen-1-ylmethyl)-1H-benzimidazol-2-amine
-
-
1-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-amine
-
-
1-(pyridin-2-yl)-1H-benzimidazol-2-amine
-
-
1-(pyridin-3-yl)-1H-benzimidazol-2-amine
-
-
1-benzyl-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-ethyl-2,3-dihydro-1H-benzimidazol-2-amine
-
-
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
1-[(4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
1-[3-(trifluoromethyl)benzyl]-1H-benzimidazol-2-amine
-
-
1H-benzimidazol-2-amine
-
-
2,4,6-triaminoquinazoline
i.e. TAQ, mimics the pterin head group of methotrexate, binds to the active site, binding structure and inhibition mechanism
2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
-
-
2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2,4-Diaminopteridines
-
overview
2,4-Diaminoquinazolines
-
overview
2,6-dimethyl [3-O-benzyl-1,2-O isopropylidene-beta-L-threo-pentofuronose-4-yl]-1-phenyl-1,4-dihydro pyridine-3,5-dicarboxylic acid diethyl ether
-
-
2,6-dimethyl-4-(3-O-benzyl-1,2-O-isopropylidene-beta-L-threo pentofuranos-4-yl)-1-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
-
oral therapy shows apoptosis like phenotypes targeting pteridine reductase 1 in intracellular amastigotes
2,6-dimethyl-4-(3-O-benzyl-1,2-ortho-isopropylidene-beta-L-threopentofuranos-4-yl)-1-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
treatment with 90 microM GDA resulted in reduction of viable cells from 94.2% (control) to 77.1%, 76.8%, 74.9%, 35.3% and 24.9% at 18, 24, 48, 72 and 96 h, respectively
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione
2-amino-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3Hpyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one
-
-
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-6-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
-
-
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-[3-(methanesulfonyl)phenyl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
-
2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-[4-(methanesulfonyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate
-
-
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one
4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
-
4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic acid ethyl ester
-
both monastrol (R) and (S) enantiomers fit well in the ligand-binding pocket of LdPTR1. Monastrol is a potent inhibitor of PTR1 in Leishmania, it inhibits proliferation of amastigotes in macrophage cultures infected with an Leishmania donovani clinical isolate, with no host cytotoxicity
4-(benzyloxy)-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
-
4-chloro-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
5,6-bis(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5,6-bis(4-chlorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5,6-bis(4-fluorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5,6-bis(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5-(3,4-dichlorobenzylidene)-thiazolidine-2,4-dione
-
-
5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
-
5-(4-fluorophenyl)-4-isopropyloxy-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
-
-
5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
-
-
5-Deaza-5,6,7,8-tetrahydrofolate
-
-
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6,7-di(propan-2-yl)pteridine-2,4-diamine
6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-(4-fluorophenyl)-N~4~,N~4~-dimethyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-(benzylsulfanyl)pyrimidine-2,4-diamine
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine
6-phenylpteridine-2,4,7-triamine
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
7-(benzyloxy)-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
7-chloro-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
-
dihydroneopterin
-
substrate inhibition
Dihydrosepiapterin
-
substrate inhibition
dimethyl 1-[(4-[[3-(ethoxycarbonyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2,4-dicarboxylate
-
-
dimethyl 1-[(4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2,4-dicarboxylate
-
-
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]piperidine-4-carboxylate
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate
N-isobutyl-19-(3',4'-methylenedioxyphenyl)-(2E,4E)-nonadecadienamide
-
-
N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
-
-
N-[3-(2-amino-5-cyano-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
-
-
N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
-
N4-cyclopropylpyrimidine-2,4,6-triamine
piperlongimin A
-
i.e. (2E)-N-isobutyl-hexadecenamide
piperlongimin B
-
i.e. (2E)-octadecenoylpiperidine
Pteridines
-
and analogs, overview
-
pyrimidine-2,4,6-triamine
quinonoid 6,7-dimethyl-7,8-dihydropterin
quinonoid dihydrobiopterin
sodium antimony gluconate
-
-
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid

-
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid
-
-
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid

-
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
-
-
1-[(4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid

-
1-[(4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
-
-
2,4-diaminopyrimidines

-
overview
2,4-diaminopyrimidines
-
-
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one

-
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
-
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one

-
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
-
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

-
-
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione

-
-
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione
-
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

-
-
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
-
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

-
-
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one

-
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one
-
6,7-di(propan-2-yl)pteridine-2,4-diamine

-
-
6,7-di(propan-2-yl)pteridine-2,4-diamine
-
6-(benzylsulfanyl)pyrimidine-2,4-diamine

-
-
6-(benzylsulfanyl)pyrimidine-2,4-diamine
-
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

the compound shows inhibitory activity both against the targeted enzyme and the parasite with a high selectivity and a low toxicity for humans. Only the (R)-isomer binds in the active site, 50% inhibition at 0.05 mM
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
the compound shows inhibitory activity both against the targeted enzyme and the parasite with a high selectivity and a low toxicity for humans. Only the (R)-isomer binds in the active site, 81% inhibition at 0.05 mM
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

-
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
-
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine

-
-
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine
-
6-phenylpteridine-2,4,7-triamine

-
-
6-phenylpteridine-2,4,7-triamine
-
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine

-
-
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
-
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine

-
-
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
-
dihydrobiopterin

-
substrate inhibition above 0.01 mM
dihydrobiopterin
-
substrate inhibition
dihydrobiopterin
-
inhibits the enzyme at high substrate concentrations
dihydrobiopterin
-
substrate inhibition
dihydrobiopterin
-
inhibits the enzyme at high substrate concentrations
dihydrofolate

-
substrate inhibition above 0.005 mM
dihydrofolate
-
substrate inhibition
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate

-
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate
-
-
methotrexate

-
methotrexate
antifolate drug
methotrexate
binding structure
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]piperidine-4-carboxylate

-
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]piperidine-4-carboxylate
-
-
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate

-
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate
-
-
N4-cyclopropylpyrimidine-2,4,6-triamine

-
-
N4-cyclopropylpyrimidine-2,4,6-triamine
-
pyrimethamine

complete inhibition at 0.05 mM
pyrimethamine
complete inhibition at 0.05 mM
pyrimidine-2,4,6-triamine

-
-
pyrimidine-2,4,6-triamine
-
quinonoid 6,7-dimethyl-7,8-dihydropterin

-
-
quinonoid 6,7-dimethyl-7,8-dihydropterin
-
-
quinonoid dihydrobiopterin

-
-
quinonoid dihydrobiopterin
-
-
additional information

-
-
-
additional information
-
-
-
additional information
-
relatively insensitive to methorexate
-
additional information
structure-based inhibitor development
-
additional information
-
structure-based inhibitor development
-
additional information
-
the enzyme is considered a promising target for anti-leishmanial drug development and several inhibitors that share the substrate scaffold. Design of a series of thiazolidine-2,4-dione derivatives as PTR1 inhibitors by employing the thiazolidinone ring as a bioisosteric replacement for pteridine/purine ring, docking studies, molecular dynamics simulations, and inhibition mechanism, overview
-
additional information
chromen-4-one derivatives as pteridine reductase 1 (PTR1) inhibitors, observed and predicted binding modes of the compounds, docking and modeling, overview. There are differences between the binding modes of the chromen-4-one and the chroman-4-one moiety. No inhibition by 3,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one at 0.05 mM. Only the (R)-isomers bind in the active site
-
additional information
-
-
-
additional information
-
structure-based design and synthesis of 61 antiparasitic pyrrolopyrimidines targeting pteridine reductase 1, with input from crystal structures of 23 of these compounds complexed with enzyme PTR1, structure-activity relationships, inhibition mechanism, overview. Analysis of eight compounds sufficiently active in vivo evaluation in HEK cells, pharmacokinetic properties
-
additional information
chromen-4-one derivatives as pteridine reductase 1 (PTR1) inhibitors, observed and predicted binding modes of the compounds, docking and modeling, overview. There are differences between the binding modes of the chromen-4-one and the chroman-4-one moiety. No inhibition by 3,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one at 0.05 mM
-
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0.06
(2-amino-2,3-dihydro-1H-benzimidazol-1-yl)(phenyl)methanone
-
Ki above 0.06 mM, pH and temperature not specified in the publication
0.00011 - 0.00018
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid
0.0037
1-(2,5-dichlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.01
1-(2-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.021
1-(2-fluorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.015
1-(2-methylbenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.024
1-(2-phenylethyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.06
1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
Ki above 0.06 mM, pH and temperature not specified in the publication
0.0004
1-(3,4-dichlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.00046
1-(3,4-dichlorobenzyl)-4-methoxy-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.06
1-(3,4-dichlorobenzyl)-4-phenyl-1H-benzimidazol-2-amine
-
Ki above 0.06 mM, pH and temperature not specified in the publication
0.00031
1-(3,4-dichlorobenzyl)-4-propoxy-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0039
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.00065
1-(3,4-dichlorobenzyl)-7-methoxy-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.000007
1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.000047
1-(3,4-dichlorobenzyl)-7-propoxy-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0088
1-(3,5-dichlorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0075
1-(3-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0031
1-(4-bromobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0054
1-(4-chlorobenzyl)-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.015
1-(4-methylbenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0042
1-(4-tert-butylbenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0061
1-(naphthalen-1-ylmethyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0028
1-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.053
1-(pyridin-2-yl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.054
1-(pyridin-3-yl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.016
1-benzyl-2,3-dihydro-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.2
1-ethyl-2,3-dihydro-1H-benzimidazol-2-amine
-
Ki above 0.2 mM, pH and temperature not specified in the publication
0.007 - 0.075
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
0.02
1-[(4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
-
-
0.0063
1-[3-(trifluoromethyl)benzyl]-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.228
1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.003317
2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.00016
2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.00035
2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.00024
2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.0049
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.141
2,4-diaminopyrimidine
called compound 3
0.021
2,4-diaminoquinazoline
called compound 2
0.027 - 0.035
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.027 - 0.035
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione
0.1
2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
above, pH and temperature not specified in the publication
0.0088
2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.075
2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
above, pH and temperature not specified in the publication
0.0058 - 0.027
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.00071 - 0.027
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.000137
2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3Hpyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.1
2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
above, pH and temperature not specified in the publication
0.00025
2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.00076
2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.002 - 0.01
2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.00117
2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one
-
pH and temperature not specified in the publication
0.00027 - 0.027
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00047
2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0013
2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0012
2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0073
2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.00106
2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0012
2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0004 - 0.0026
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.0002
2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.00029 - 0.0042
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.00023
2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.0005 - 0.0164
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.0005
2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.00036 - 0.0034
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.0008
2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.0039 - 0.027
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.01
2-amino-6-chloro-benzimidazole
-
0.00095
2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH and temperature not specified in the publication
0.000731
2-amino-6-[3-(methanesulfonyl)phenyl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH and temperature not specified in the publication
0.01
2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
above, pH and temperature not specified in the publication
0.01
2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate
-
above, in Creek's minimal medium, pH and temperature not specified in the publication
0.0042
4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
pH and temperature not specified in the publication
0.000428
4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic acid ethyl ester
-
pH 4.8, 30ưC
0.016
4-(benzyloxy)-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0086
4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
pH and temperature not specified in the publication
0.0023
4-chloro-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.0003
5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00059
5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00026
5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00029
5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.05
5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
-
above, pH and temperature not specified in the publication
0.00048
5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00032
5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00019
5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
-
pH and temperature not specified in the publication
0.0004
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00024 - 0.0033
6,7-di(propan-2-yl)pteridine-2,4-diamine
0.000135
6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00058
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.0003
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.00024
6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.0006 - 0.0032
6-(benzylsulfanyl)pyrimidine-2,4-diamine
0.0012 - 0.035
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine
0.0012 - 0.0034
6-phenylpteridine-2,4,7-triamine
0.0027 - 0.018
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
0.0054 - 0.027
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
0.00058
6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.00128
6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.000098
7-(benzyloxy)-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.00051
7-chloro-1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
-
pH and temperature not specified in the publication
0.00015 - 0.0038
dihydrobiopterin
0.038
dimethyl 1-[(4-[[3-(ethoxycarbonyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2,4-dicarboxylate
-
-
0.04
dimethyl 1-[(4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2,4-dicarboxylate
-
-
0.006 - 0.106
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate
0.0000111 - 0.000152
methotrexate
0.000037
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]piperidine-4-carboxylate
-
0.0001 - 0.007
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate
0.00023
N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
-
pH and temperature not specified in the publication
0.00035
N-[3-(2-amino-5-cyano-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
-
pH and temperature not specified in the publication
0.00029
N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.0002
N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.00056
N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
-
pH and temperature not specified in the publication
0.027 - 0.035
N4-cyclopropylpyrimidine-2,4,6-triamine
0.027 - 0.035
pyrimidine-2,4,6-triamine
0.0922 - 0.475
quinonoid 6,7-dimethyl-7,8-dihydropterin
0.00122 - 0.00314
quinonoid dihydrobiopterin
additional information
additional information
-
inhibition kinetics, thermal shift assay
-
0.00011
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid

-
-
0.00018
(4S)-4-[[(4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]phenyl)carbonyl]amino]-5-oxohexanoic acid
-
0.007
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid

-
0.075
1-[(4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-4-carboxylic acid
-
-
0.027
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

-
pH 7.5, temperature not specified in the publication, value above 0.027
0.035
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
pH 7.5, temperature not specified in the publication, value above 0.035
0.027
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione

-
pH 7.5, temperature not specified in the publication, value above 0.027
0.035
2-amino-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione
pH 7.5, temperature not specified in the publication, value above 0.035
0.0058
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.027
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication, value above 0.027
0.00071
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.027
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication, value above 0.027
0.00027
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

-
pH and temperature not specified in the publication
0.00096
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
pH 7.5, temperature not specified in the publication
0.027
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
-
pH 7.5, temperature not specified in the publication, value above 0.027
0.0004
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.0026
2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication
0.00029
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.0042
2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication
0.0005
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.0164
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication
0.00036
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.0034
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication
0.0039
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

pH 7.5, temperature not specified in the publication
0.027
2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
-
pH 7.5, temperature not specified in the publication, value above 0.027
0.00024
6,7-di(propan-2-yl)pteridine-2,4-diamine

-
pH 7.5, temperature not specified in the publication
0.0033
6,7-di(propan-2-yl)pteridine-2,4-diamine
pH 7.5, temperature not specified in the publication
0.0006
6-(benzylsulfanyl)pyrimidine-2,4-diamine

-
pH 7.5, temperature not specified in the publication
0.0032
6-(benzylsulfanyl)pyrimidine-2,4-diamine
pH 7.5, temperature not specified in the publication
0.0012
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine

-
pH 7.5, temperature not specified in the publication
0.035
6-methyl-7-(propan-2-yl)pteridine-2,4-diamine
pH 7.5, temperature not specified in the publication, value above 0.035
0.0012
6-phenylpteridine-2,4,7-triamine

pH 7.5, temperature not specified in the publication
0.0034
6-phenylpteridine-2,4,7-triamine
-
pH 7.5, temperature not specified in the publication
0.0027
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine

-
pH 7.5, temperature not specified in the publication
0.018
6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
pH 7.5, temperature not specified in the publication
0.0054
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine

pH 7.5, temperature not specified in the publication
0.027
6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
-
pH 7.5, temperature not specified in the publication, value above 0.027
0.00015
dihydrobiopterin

-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
0.00116
dihydrobiopterin
-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
0.0038
dihydrobiopterin
-
pH 3.7
0.006
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate

-
0.106
ethyl 1-[(4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl)carbonyl]piperidine-2-carboxylate
-
-
0.0000111
methotrexate

-
0.000039
methotrexate
pH and temperature not specified in the publication
0.000152
methotrexate
-
pH 3.7
0.0001
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate

-
0.007
methyl 1-[(4-[[(2,4-diaminopteridin-6-yl)methyl]amino]phenyl)carbonyl]piperidine-4-carboxylate
-
-
0.027
N4-cyclopropylpyrimidine-2,4,6-triamine

-
pH 7.5, temperature not specified in the publication, value above 0.027
0.035
N4-cyclopropylpyrimidine-2,4,6-triamine
pH 7.5, temperature not specified in the publication, value above 0.035
0.027
pyrimidine-2,4,6-triamine

-
pH 7.5, temperature not specified in the publication, value above 0.027
0.035
pyrimidine-2,4,6-triamine
pH 7.5, temperature not specified in the publication, value above 0.035
0.0922
quinonoid 6,7-dimethyl-7,8-dihydropterin

-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
0.475
quinonoid 6,7-dimethyl-7,8-dihydropterin
-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
0.00122
quinonoid dihydrobiopterin

-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
0.00314
quinonoid dihydrobiopterin
-
in 50 mM HEPES buffer, pH 7.4, at 25ưC
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
23.1 - 101
(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
0.0624
2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.07252
2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.01708
2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.17
2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
2.44
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
18.3 - 90.8
2,6-dimethyl [3-O-benzyl-1,2-O isopropylidene-beta-L-threo-pentofuronose-4-yl]-1-phenyl-1,4-dihydro pyridine-3,5-dicarboxylic acid diethyl ether
0.035 - 0.038
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
0.036 - 0.082
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
0.34
2-amino-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00104
2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
above, pH and temperature not specified in the publication
0.01433
2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.0073
2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
above, pH and temperature not specified in the publication
0.00156
2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00074
2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00043
2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00041
2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
7.62
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00077
2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.02511
2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.125
2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.0104
2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.05334
2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00775
2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.0032
2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00103
2-amino-6-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00061
2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.139
2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00014
2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00213
2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
above, pH and temperature not specified in the publication
0.1
2-amino-6-[4-(methanesulfonyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Trypanosoma brucei
-
above, pH and temperature not specified in the publication
0.0201
2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate
Trypanosoma brucei
-
above, in Creek's minimal medium, pH and temperature not specified in the publication
0.0043 - 0.0125
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one
0.01
4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic acid ethyl ester
Leishmania donovani
-
pH 4.8, 30ưC
0.08006
4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00202
5,6-bis(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00308
5,6-bis(4-chlorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.00015
5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00131
5,6-bis(4-fluorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00019
5,6-bis(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00058
5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.09352
5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00019
5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00253
5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Trypanosoma brucei
-
above, pH and temperature not specified in the publication
0.00142
5-(4-fluorophenyl)-4-isopropyloxy-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.01447
5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.17
5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00065
5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.04101
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00025
6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.000083
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00343
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.00008
6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00134
6-(4-fluorophenyl)-N~4~,N~4~-dimethyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.031 - 0.057
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
0.035 - 0.133
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
0.00139
6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00616
6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00603
N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
Trypanosoma brucei
-
pH and temperature not specified in the publication
0.00611
N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.00178
N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
in Creek's minimal medium, pH and temperature not specified in the publication
0.0115
N~4~-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Trypanosoma brucei
-
pH and temperature not specified in the publication
12.1
sodium antimony gluconate
Leishmania donovani
-
amastigote
23.1
(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

Leishmania donovani
-
amastigote
101
(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
Leishmania donovani
-
promastigote
18.3
2,6-dimethyl [3-O-benzyl-1,2-O isopropylidene-beta-L-threo-pentofuronose-4-yl]-1-phenyl-1,4-dihydro pyridine-3,5-dicarboxylic acid diethyl ether

Leishmania donovani
-
amastigote
90.8
2,6-dimethyl [3-O-benzyl-1,2-O isopropylidene-beta-L-threo-pentofuronose-4-yl]-1-phenyl-1,4-dihydro pyridine-3,5-dicarboxylic acid diethyl ether
Leishmania donovani
-
promastigote
0.035
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one

Leishmania major
pH 6.0, 30ưC
0.038
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
Trypanosoma brucei
pH 6.0, 30ưC
0.036
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one

Leishmania major
pH 6.0, 30ưC
0.082
2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
Trypanosoma brucei
pH 6.0, 30ưC
0.0043
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one

Trypanosoma brucei
pH 6.0, 30ưC
0.0125
3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one
Leishmania major
pH 6.0, 30ưC
0.031
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Trypanosoma brucei
pH 6.0, 30ưC
0.057
6-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Leishmania major
pH 6.0, 30ưC
0.035
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Leishmania major
pH 6.0, 30ưC
0.133
6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Trypanosoma brucei
pH 6.0, 30ưC
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Nare, B.; Hardy, L.W.; Beverley, S.M.
The roles of pteridine reductase 1 and dihydrofolate reductase-thymidylate synthase in pteridine metabolism in the protozoan parasite Leishmania major
J. Biol. Chem.
272
13883-13891
1997
Leishmania major, Leishmania tarentolae
brenda
Robello, C.; Navarro, P.; Castanys, S.; Gamarro, F.
A pteridine reductase gene ptr1 contiguous to a P-glycoprotein confers resistance to antifolates in Trypanosoma cruzi
Mol. Biochem. Parasitol.
90
525-535
1997
Trypanosoma cruzi, Trypanosoma cruzi Y
brenda
Nare, B.; Luba, J.; Hardy, L.W.; Beverley, S.
New approaches to Leishmania chemotherapy: pteridine reductase 1 (PTR1) as a target and modulator of antifolate sensitivity
Parasitology
114
101-110
1997
Leishmania major
-
brenda
Hardy, L.W.; Matthews, W.; Nare, B.; Beverley, S.M.
Biochemical and genetic tests for inhibitors of Leishmania pteridine pathways
Exp. Parasitol.
87
157-169
1997
Leishmania major
brenda
Leblanc, E.; Papadopoulou, B.; Bernatchez, C.; Ouellette, M.
Residues involved in co-factor and substrate binding of the short-chain dehydrogenase/reductase PTR1 producing methotrexate resistance in Leishmania
Eur. J. Biochem.
251
768-774
1998
Leishmania tarentolae
brenda
Bello, A.R.; Nare, B.; Freedman, D.; Hardy, L.; Beverly, S.M.
PTR1: a reductase mediating salvage of oxidized pteridines and methotrexate resistance in the protozoan parasite Leishmania major
Proc. Natl. Acad. Sci. USA
91
11442-11446
1994
Leishmania major
brenda
Wang, J.; Leblanc, E.; Chang, C.F.; Papadopoulou, B.; Bray, T.; Witheley, J.M.; Lin, S.X.; Quellette, M.
Pterin and folate reduction by the Leishmania tarentolae H locus short-chain dehydrogenase/reductase PTR1
Arch. Biochem. Biophys.
342
197-202
1997
Leishmania tarentolae
brenda
Luba, J.; Nare, B.; Liang, P.H.; Anderson, K.S.; Beverley, S.M.; Hardy, L.W.
Leishmania major pteridine reductase 1 belongs to the short chain dehydrogenase family: stereochemical and kinetic evidence
Biochemistry
37
4093-4104
1998
Leishmania major
brenda
Zhao, H.; Bray, T.; Ouellette, M.; Zhao, M.; Ferre, R.A.; Matthews, D.; Whiteley, J.M.; Varughese, K.I.
Structure of pteridine reductase (PTR1) from Leishmania tarentolae
Acta Crystallogr. Sect. D
59
1539-1544
2003
Leishmania tarentolae (P42556), Leishmania tarentolae
brenda
McLuskey, K.; Gibellini, F.; Carvalho, P.; Avery, M.A.; Hunter, W.N.
Inhibition of Leishmania major pteridine reductase by 2,4,6-triaminoquinazoline: structure of the NADPH ternary complex
Acta Crystallogr. Sect. D
60
1780-1785
2004
Leishmania major (Q01782), Leishmania major
brenda
Kumar, P.; Kothari, H.; Singh, N.
Overexpression in Escherichia coli and purification of pteridine reductase (PTR1) from a clinical isolate of Leishmania donovani
Protein Expr. Purif.
38
228-236
2004
Leishmania donovani (Q6QDB5), Leishmania donovani
brenda
Schuettelkopf, A.W.; Hardy, L.W.; Beverley, S.M.; Hunter, W.N.
Structures of Leishmania major pteridine reductase complexes reveal the active site features important for ligand binding and to guide inhibitor design
J. Mol. Biol.
352
105-116
2005
Leishmania major
brenda
Dawson, A.; Gibellini, F.; Sienkiewicz, N.; Tulloch, L.B.; Fyfe, P.K.; McLuskey, K.; Fairlamb, A.H.; Hunter, W.N.
Structure and reactivity of Trypanosoma brucei pteridine reductase: inhibition by the archetypal antifolate methotrexate
Mol. Microbiol.
61
1457-1468
2006
Trypanosoma brucei
brenda
Kumar, P.; Sundar, S.; Singh, N.
Degradation of pteridine reductase 1 (PTR1) enzyme during growth phase in the protozoan parasite Leishmania donovani
Exp. Parasitol.
116
182-189
2007
Leishmania donovani (Q6QDB5), Leishmania donovani
brenda
Kumar, P.; Kumar, A.; Verma, S.S.; Dwivedi, N.; Singh, N.; Siddiqi, M.I.; Tripathi, R.P.; Dube, A.; Singh, N.
Leishmania donovani pteridine reductase 1: biochemical properties and structure-modeling studies
Exp. Parasitol.
120
73-79
2008
Leishmania donovani
brenda
Cavazzuti, A.; Paglietti, G.; Hunter, W.N.; Gamarro, F.; Piras, S.; Loriga, M.; Allecca, S.; Corona, P.; McLuskey, K.; Tulloch, L.; Gibellini, F.; Ferrari, S.; Costi, M.P.
Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development
Proc. Natl. Acad. Sci. USA
105
1448-1453
2008
Trypanosoma cruzi, Leishmania major (Q01782), Leishmania major
brenda
Shanks, E.J.; Ong, H.B.; Robinson, D.A.; Thompson, S.; Sienkiewicz, N.; Fairlamb, A.H.; Frearson, J.A.
Development and validation of a cytochrome c-coupled assay for pteridine reductase 1 and dihydrofolate reductase
Anal. Biochem.
396
194-203
2010
Trypanosoma brucei (O76290), Trypanosoma brucei
brenda
Kaur, J.; Singh, B.K.; Tripathi, R.P.; Singh, P.; Singh, N.
Leishmania donovani: a glycosyl dihydropyridine analogue induces apoptosis like cell death via targeting pteridine reductase 1 in promastigotes
Exp. Parasitol.
123
258-264
2009
Leishmania donovani (Q6QDB5), Leishmania donovani
brenda
Mpamhanga, C.P.; Spinks, D.; Tulloch, L.B.; Shanks, E.J.; Robinson, D.A.; Collie, I.T.; Fairlamb, A.H.; Wyatt, P.G.; Frearson, J.A.; Hunter, W.N.; Gilbert, I.H.; Brenk, R.
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening
J. Med. Chem.
52
4454-4465
2009
Trypanosoma brucei (O76290)
brenda
Singh, N.; Kaur, J.; Kumar, P.; Gupta, S.; Singh, N.; Ghosal, A.; Dutta, A.; Kumar, A.; Tripathi, R.; Siddiqi, M.I.; Mandal, C.; Dube, A.
An orally effective dihydropyrimidone (DHPM) analogue induces apoptosis-like cell death in clinical isolates of Leishmania donovani overexpressing pteridine reductase 1
Parasitol. Res.
105
1317-1325
2009
Leishmania donovani
brenda
Nare, B.; Garraway, L.A.; Vickers, T.J.; Beverley, S.M.
PTR1-dependent synthesis of tetrahydrobiopterin contributes to oxidant susceptibility in the trypanosomatid protozoan parasite Leishmania major
Curr. Genet.
55
287-299
2009
Leishmania major
brenda
Kaur, J.; Singh, N.; Singh, B.K.; Dube, A.; Tripathi, R.P.; Singh, P.; Singh, N.
Leishmania donovani: oral therapy with glycosyl 1,4-dihydropyridine analogue showing apoptosis like phenotypes targeting pteridine reductase 1 in intracellular amastigotes
Exp. Parasitol.
125
310-314
2010
Leishmania major
brenda
Kaur, J.; Sundar, S.; Singh, N.
Molecular docking, structure-activity relationship and biological evaluation of the anticancer drug monastrol as a pteridine reductase inhibitor in a clinical isolate of Leishmania donovani
J. Antimicrob. Chemother.
65
1742-1748
2010
Leishmania donovani
brenda
Tulloch, L.B.; Martini, V.P.; Iulek, J.; Huggan, J.K.; Lee, J.H.; Gibson, C.L.; Smith, T.K.; Suckling, C.J.; Hunter, W.N.
Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases
J. Med. Chem.
53
221-229
2010
Leishmania major, Trypanosoma brucei (Q581W1), Trypanosoma brucei
brenda
Sienkiewicz, N.; Ong, H.B.; Fairlamb, A.H.
Trypanosoma brucei pteridine reductase 1 is essential for survival in vitro and for virulence in mice
Mol. Microbiol.
77
658-671
2010
Trypanosoma brucei
brenda
Barrack, K.L.; Tulloch, L.B.; Burke, L.A.; Fyfe, P.K.; Hunter, W.N.
Structure of recombinant Leishmania donovani pteridine reductase reveals a disordered active site
Acta Crystallogr. Sect. F
67
33-37
2011
Leishmania donovani (Q6QDB5), Leishmania donovani
brenda
Spinks, D.; Ong, H.B.; Mpamhanga, C.P.; Shanks, E.J.; Robinson, D.A.; Collie, I.T.; Read, K.D.; Frearson, J.A.; Wyatt, P.G.; Brenk, R.; Fairlamb, A.H.; Gilbert, I.H.
Design, synthesis and biological evaluation of novel inhibitors of Trypanosoma brucei pteridine reductase 1
ChemMedChem
6
302-308
2011
Trypanosoma brucei
brenda
Kazemi, B.; Tohidi, F.; Bandehpour, M.; Yarian, F.
Molecular cloning, expression and enzymatic assay of pteridine reductase 1 from Iranian lizard Leishmania
Iran. Biomed. J.
14
97-102
2010
Leishmania sp. (A2TEY0), Leishmania sp. BK-2007 (A2TEY0)
brenda
Ong, H.B.; Sienkiewicz, N.; Wyllie, S.; Fairlamb, A.H.
Dissecting the metabolic roles of pteridine reductase 1 in Trypanosoma brucei and Leishmania major
J. Biol. Chem.
286
10429-10438
2011
Leishmania major, Trypanosoma brucei
brenda
Sahi, S.; Tewatia, P.; Ghosal, S.
Leishmania donovani pteridine reductase 1: comparative protein modeling and protein-ligand interaction studies of the leishmanicidal constituents isolated from the fruits of Piper longum
J. Mol. Model.
18
5065-5073
2012
Leishmania donovani
brenda
Leite, F.H.A.; Froes, T.Q.; da Silva, S.G.; de Souza, E.I.M.; Vital-Fujii, D.G.; Trossini, G.H.G.; Pita, S.S.D.R.; Castilho, M.S.
An integrated approach towards the discovery of novel non-nucleoside Leishmania major pteridine reductase 1 inhibitors
Eur. J. Med. Chem.
132
322-332
2017
Leishmania major
brenda
de Souza Moreira, D.; Ferreira, R.F.; Murta, S.M.
Molecular characterization and functional analysis of pteridine reductase in wild-type and antimony-resistant Leishmania lines
Exp. Parasitol.
160
60-66
2016
Leishmania amazonensis (O09352), Leishmania amazonensis, Leishmania braziliensis (A4HCP1), Leishmania braziliensis, Leishmania guyanensis (A0A1E1IZ95), Leishmania guyanensis, Leishmania infantum (A4I067), Leishmania infantum
brenda
Khalaf, A.I.; Huggan, J.K.; Suckling, C.J.; Gibson, C.L.; Stewart, K.; Giordani, F.; Barrett, M.P.; Wong, P.E.; Barrack, K.L.; Hunter, W.N.
Structure-based design and synthesis of antiparasitic pyrrolopyrimidines targeting pteridine reductase 1
J. Med. Chem.
57
6479-6494
2014
Trypanosoma brucei
brenda
Di Pisa, F.; Landi, G.; Dello Iacono, L.; Pozzi, C.; Borsari, C.; Ferrari, S.; Santucci, M.; Santarem, N.; Cordeiro-Da-Silva, A.; Moraes, C.; Alcantara, L.; Fontana, V.; Freitas-Junior, L.; Gul, S.; Kuzikov, M.; Behrens, B.; Poehner, I.; Wade, R.; Costi,
Chroman-4-one derivatives targeting pteridine reductase 1 and showing anti-parasitic activity
Molecules
22
E426
2017
no activity in Homo sapiens, Trypanosoma brucei (O76290), Leishmania major (Q01782)
brenda