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(2R)-2-amino-4-benzylpentanedioic acid
-
-
(2R,4R)-2-amino-4-(2-benzo[b]furyl)methyl pentanedioic acid
-
IC50: 0.1 mg/l, minimum inhibitor concentration: 0.24 mg/l
(2R,4R)-2-amino-4-(2-benzo[b]thiazolyl)methyl pentanedioic acid
-
IC50: 0.38 mg/l, minimum inhibitor concentration: 0.24 mg/l
(2R,4R)-2-amino-4-(2-benzo[b]thienyl)methyl pentanedioic acid
-
IC50: 0.036 mg/l, minimum inhibitor concentration: 0.24 mg/l
(2R,4R)-2-amino-4-(2-indolyl)methyl pentanedioic acid
-
IC50: 9.8 mg/l, minimum inhibitor concentration: 62.5 mg/l
(2R,4R)-2-amino-4-(2-thienyl)methyl pentanedioic acid
-
IC50: 0.1 mg/l, minimum inhibitor concentration: above 1.0 mg/l
(2R,4R)-2-amino-4-[(3-chloro)-2-benzo[b]thienyl]methyl pentanedioic acid
-
IC50: 0.01 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(2-bromo)benzyl pentanedioic acid
-
IC50: 6.3 mg/l, minimum inhibitor concentration: 31.3 mg/l
(2R,4S)-2-amino-4-(2-chloro)benzyl pentanedioic acid
-
IC50: 7.1 mg/l, minimum inhibitor concentration: 3.9 mg/l
(2R,4S)-2-amino-4-(2-naphthyl)methyl pentanedioic acid
(2R,4S)-2-amino-4-(3,4,5-trimethoxy)benzyl pentanedioic acid
-
IC50: 81 mg/l, minimum inhibitor concentration: above 250 mg/l
(2R,4S)-2-amino-4-(3,5-dichloro)benzyl pentanedioic acid
-
IC50: 3.0 mg/l, minimum inhibitor concentration: 3.9 mg/l
(2R,4S)-2-amino-4-(3-benzo[b]thienyl)methyl pentanedioic acid
-
IC50: 1.7 mg/l, minimum inhibitor concentration: 7.8 mg/l
(2R,4S)-2-amino-4-(3-bromo)benzyl pentanedioic acid
-
IC50: 0.13 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(3-chloro)benzyl pentanedioic acid
-
IC50: 3.4 mg/l, minimum inhibitor concentration: 1.0 mg/l
(2R,4S)-2-amino-4-(3-cyclohexyl)propyl pentanedioic acid
-
IC50: 0.6 mg/l, MIC: 2.0 mg/l
(2R,4S)-2-amino-4-(3-methoxy)benzyl pentanedioic acid
-
IC50: 0.2 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(3-nitro)benzyl pentanedioic acid
-
IC50: 5.2 mg/l, minimum inhibitor concentration: 2.0 mg/l
(2R,4S)-2-amino-4-(3-phenyl)benzyl pentanedioic acid
-
IC50: 0.7 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(3-phenyl)propargyl pentanedioic acid
-
IC50: 0.37 mg/l, minimum inhibitor concentration: 2.0 mg/l
(2R,4S)-2-amino-4-(3-phenyl)propyl pentanedioic acid
-
IC50: 0.5 mg/l, minimum inhibitor concentration: 3.9 mg/l
(2R,4S)-2-amino-4-(3-trifluoromethyl)benzyl pentanedioic acid
-
IC50: 0.8 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(4-chloro)benzyl pentanedioic acid
-
IC50: 0.3 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(4-methoxy)benzyl pentanedioic acid
-
IC50: 0.1 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-(4-nitro)benzyl pentanedioic acid
-
IC50: 5.2 mg/l, minimum inhibitor concentration: 2.0 mg/l
(2R,4S)-2-amino-4-(4-phenyl)benzyl pentanedioic acid
-
IC50: 0.078 mg/l, minimum inhibitor concentration: 1.0 mg/l
(2R,4S)-2-amino-4-(4-tert-butyl)benzyl pentanedioic acid
-
IC50: 0.6 mg/l, minimum inhibitor concentration: 1.0 mg/l
(2R,4S)-2-amino-4-(4-trifluoromethyl)benzyl pentanedioic acid
-
IC50: 0.8 mg/l, minimum inhibitor concentration: 7.8 mg/l
(2R,4S)-2-amino-4-(5-phenyl-2E,4E-pentadienyl)pentanedioic acid
-
IC50: 9.1 mg/l, minimum inhibitor concentration: 3.9 mg/l
(2R,4S)-2-amino-4-(prop-2-ynyl) pentanedioic acid
-
IC50: 5.5 mg/l, MIC: 31.3 mg/l
(2R,4S)-2-amino-4-[3-(2-benzo[b]thienyl)]benzyl pentanedioic acid
-
IC50: 0.3 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2R,4S)-2-amino-4-[3-(2-furyl)]benzyl pentanedioic acid
-
IC50: 0.5 mg/l, minimum inhibitor concentration: 0.24 mg/l
(2R,4S)-2-amino-4-[4-(2-benzo[b]thienyl)]benzyl pentanedioic acid
-
IC50: 0.65 mg/l, minimum inhibitor concentration: 3.9 mg/l
(2R,4S)-2-amino-4-[4-(2-naphthyl)]benzyl pentanedioic acid
-
IC50: 0.42 mg/l, minimum inhibitor concentration: 7.8 mg/l
(2R,4S)-2-amino-4-[4-(3-thienyl)]benzyl pentanedioic acid
-
IC50: 0.32 mg/l, minimum inhibitor concentration: 0.24 mg/l
(2R,4S)-2-amino-4-[4-(n-benzenesulfonylamino)]benzyl pentanedioic acid
-
IC50: 10.2 mg/l, minimum inhibitor concentration: above 250 mg/l
(2R,4S)-2-amino-4-[4-(N-phenylaminocarbonyl)amino]-benzyl pentanedioic acid
-
IC50: 0.49 mg/l, minimum inhibitor concentration: 15.6 mg/l
(2R,4S,E)-2-amino-4-(3-phenylprop-2-enyl) pentanedioic acid
-
IC50: 0.1 mg/l, minimum inhibitor concentration: 0.4 mg/l
(2R,4S,E)-2-amino-4-(3-phenylprop-2-enyl)pentanedioic acid
-
D-glutamate analog, good competitive inhibitor for RacE1; D-glutamate analog, only weak inhibitor of RacE2, but a potent competitive inhibitor for mutant V149A
(2R,4S,E)-2-amino-4-[3-(2-naphthyl)prop-2-enyl]pentanedioic acid
-
IC50: 0.5 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2S,4R)-2-amino-4-benzyl pentanedioic acid
-
IC50: 0.3 mg/l, minimum inhibitor concentration: 0.5 mg/l
(2S,4S)-2-amino-4-(1-naphthyl)methyl pentanedioic acid
-
IC50: 5.6 mg/l, minimum inhibitor concentration: 3.9 mg/l
(4R,2S)-2-cinnamyl-4-amino-5-hydroxypentanoic acid
-
D-glutamate analog, good competitive inhibitor for RacE1; D-glutamate analog, only weak inhibitor of RacE2, but a potent competitive inhibitor for mutant V149A
(R,S)-1-hydroxy-1-oxo-4-amino-4-carboxyphosphorinane
-
-
(R,S)-4-amino-4-carboxy-1,1-dioxotetrahydro-thiopyran
-
-
1,1-dioxo-tetrahydrothiopyran-4-one
-
-
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)thiourea
-
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)thiourea
-
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-phenylthiourea
-
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-phenylurea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-chlorophenyl)thiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-chlorophenyl)urea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-fluorophenyl)thiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-fluorophenyl)urea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-methoxyphenyl)urea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)thiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)urea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)thiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)urea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-benzylthiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-benzylurea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-isopropylurea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-phenylthiourea
-
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-phenylurea
-
1-(4-chlorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
Binding pose and the interaction pattern of the compound, non-competitive inhibition
1-(4-chlorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
-
1-(4-fluorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
-
1-(4-fluorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
-
1-(4-methoxyphenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
-
1-benzyl-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
-
1-hydroxyphosphinan-4-one 1-oxide
-
-
1H-benzimidazole-2-sulfonic acid
-
-
2-(2-Carboxyethyl)aziridine-2-carboxylic acid
-
i.e. aziridino-glutamate, inactivates glutamate racemase by alkylating an active site Cys residue
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
2-amino-4-phosphonobutanoic acid
-
-
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
2-hydroxy-3,4,5-trioxocyclopent-1-en-1-olate
-
-
2-nitro-5-thiocyanatobenzoate
0.2 mM
2-Nitro-5-thiocyanobenzoate
2-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
analysis of mouse and human internal clearance
2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methyl-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(pent-4-yn-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(prop-2-en-1-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(prop-2-yn-1-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-[4-(morpholin-4-yl)but-2-yn-1-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(3-hydroxyprop-2-yn-1-yl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-1H-1,2,4-triazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-1H-pyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
2-[2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
2-[2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-yn-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
-
-
3-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
3-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
3-(3-chlorothiophen-2-yl)-5-(furan-2-yl)-N-methyl-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
3-(5-methylbenzo[d]oxazol-2-yl)aniline
-
-
3-(benzo[d]oxazol-2-yl)aniline
-
-
3-sulfobenzoic acid
structural analogue of dipicolinate dianion
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione
4-chlorobenzene-1,2,3-triol
-
noncompetitive inhibition
4-hydroxybenzene-1,3-disulfonate
-
-
4-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylfuran-2-carbonitrile
-
-
5,5'-dithiobis(2-nitrobenzoate)
5-(but-2-yn-1-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
5-[2-[(6-chloro-1,2-dihydroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 1 and 0.5 microg/ml
5-[2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-(cyanomethyl)-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-yn-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(propan-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[2-(1H-1,2,3-triazol-1-yl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[4-(1H-1,2,4-triazol-1-yl)but-2-yn-1-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[4-(1H-pyrazol-1-yl)but-2-yn-1-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(2-hydroxyethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-yn-1-yl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methylfuran-2-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-[4-(1H-imidazol-1-yl)but-2-yn-1-yl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-[4-(morpholin-4-yl)but-2-yn-1-yl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-[5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl]-1H-pyrrole-3-sulfonamide
analysis of mouse and human internal clearance
5-[5-(but-2-yn-1-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[5-(but-3-yn-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
-
-
5-[7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 16 microg/ml
6-chloro-4-([7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-2-yl]methyl)isoquinoline-3-carbonitrile
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 16 and 8 microg/ml
6-chloro-4-[[3-(4-cyano-1-methyl-1H-pyrrol-2-yl)-7-(cyclopropylmethyl)-4,6-dioxo-5-prop-2-yn-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-2-yl]methyl]isoquinoline-3-carbonitrile
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 2 and 1 microg/ml
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine
benzene-1,3-disulfonate
-
-
beta-chloro-L-alanine
BCLA, modifies BsMurI predominantly at C74, the cysteine residue responsible for deprotonation of an incoming D-Glu substrate
bis(2,4-bis (trichloromethyl)-1,3,5-triazapentadienato)-Zn(II) complex
-
binding structure, overview
-
bis(2-carboxyethyl)-phosphinic acid
-
-
Cu2+
-
inhibition is completely reversed by EDTA
D-glutamate
-
MurI of Helicobacter pylori is strongly inhibited by D-glutamate
D-N-Hydroxyglutamate
-
the compound acts as alternate substrate and is converted into 2-oxoglutarate and NH4+. Km: 0.057 mM, turnover number: 1080 min-1. An imine intermediate is likely the species causing the inhibition
exiguaquinol
-
pentacyclic hydroquinone from Neopetrosia exigua, protein-ligand modeling
gamma-2-naphthylmethyl-D-glutamate
potent competitive inhibitor that induces a disorder in one of the loops near the active site
L-alpha-aminohexanedioate
-
-
L-N-Hydroxyglutamate
-
weak
L-serine-O-sulfate
-
suicide substrate. The glutamate racemase catalyzes alpha,beta-elimination of L-serine O-sulfate to produce a pyruvate concomitantly with an irreversible inactivation of the enzyme
Mn2+
-
inhibition is completely reversed by EDTA
N,8-dimethyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
N-benzyl-N'-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]urea
-
N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
N-methyl-5-(1H-pyrrol-3-yl)-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
N-methyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
uncompetitive, inhibitor with improved solubility and reduced plasma protein binding, binds at the enzyme dimer interface
p-chloromercuribenzoate
-
-
riboflavin
-
slight inhibition, restoration by FAD
tetracycline
-
inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 0.25 and 0.13 microg/ml
Thiol-blocking reagents
-
tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienate)-Mn(III) complex
-
binding structure, overview
Zn2+
-
inhibition is completely reversed by EDTA
[2-[(6-chloro-1,2-dihydroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-4,6-dioxo-2,4,6,7-tetrahydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 2 and 1 microg/ml
(2R,4S)-2-amino-4-(2-naphthyl)methyl pentanedioic acid

-
D-glutamate analog, good competitive inhibitor for RacE1; D-glutamate analog, only weak inhibitor of RacE2, but a potent competitive inhibitor for mutant V149A
(2R,4S)-2-amino-4-(2-naphthyl)methyl pentanedioic acid
-
IC50: 0.1 mg/l, minimum inhibitor concentration: 0.25 mg/l
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine

comparison with effect on Enterococcus faecium and Staphylococcus aureus
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
comparison with effect on Enterococcus faecalis and Staphylococcus aureus
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
analysis of mouse and human internal clearance
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine

comparison with effect on Enterococcus faecium and Staphylococcus aureus
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
comparison with effect on Enterococcus faecalis and Staphylococcus aureus
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine

-
comparison with effect on enzyme from Staphylococcus aureus
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
-
comparison with effect on enzyme from Enterococcus faecalis and Staphylococcus aureus
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
-
comparison with effect on enzyme from Enterococcus faecalis
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine

comparison with effect on Enterococcus faecium and Staphylococcus aureus
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
comparison with effect on Enterococcus faecalis and Staphylococcus aureus
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
-
2-Nitro-5-thiocyanobenzoate

-
-
2-Nitro-5-thiocyanobenzoate
-
complete inactivation at 0.1 mM
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

analysis of mouse and human internal clearance
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
-
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione

-
comparison with effect on enzyme from Staphylococcus aureus
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione
-
comparison with effect on enzyme from Enterococcus faecalis
5,5'-dithiobis(2-nitrobenzoate)

-
-
5,5'-dithiobis(2-nitrobenzoate)
-
-
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

-
a pyrazolopyrimidinedione analogue identified by a high-throughput screen demonstrates inhibition with excellent selectivity for MurI of Helicobacter pylori, it is time-independent, fully-reversible and insensitive to changes in enzyme or detergent concentration
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
-
pyrazolopyrimidinedione inhibits growth of Helicobacter pylori specifically, inhibition of enzyme results in inhibition of peptidoglycan biosynthesis, minimum inhibitory concentration in wild-type strains SS1 and ARHp80 is 4 microg/ml
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine

comparison with effect on Enterococcus faecium and Staphylococcus aureus
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine
comparison with effect on Enterococcus faecalis and Staphylococcus aureus
beta-Chloro-D-alanine

BCDA, its primary target is glutamate racemase, poor activity oagainst alanine racemase activity, potent antituberculosis activity. BCDA does not inhibit the D-alanine pathway in intact cells, consistent with its poor in vitro activity, it is instead an irreversible mechanism-based inactivator of glutamate racemase (MurI), an upstream enzyme in the same early stage of peptidoglycan biosynthesis. Inhibition kinetics, overview. BCDA-treated BsMurI has a single cysteine residue, C185, that is the sole site of modification in over 95% of the inactivated protein. BCDA inhibition of MurI is mechanism-based as opposed to arising from nonspecific interaction with suitably configured cysteine thiols
beta-Chloro-D-alanine
BCDA, its primary target is glutamate racemase, poor activity oagainst alanine racemase activity, potent antituberculosis activity. BCDA does not inhibit the D-alanine pathway in intact cells, consistent with its poor in vitro activity, it is instead an irreversible mechanism-based inactivator of glutamate racemase (MurI), an upstream enzyme in the same early stage of peptidoglycan biosynthesis. Inhibition kinetics, overview. BCDA modifies MtMurI in vitro and in vivo
dipicolinic acid

-
allosteric inhibitor of both Bacillus anthracis glutamate racemase isozymes which exhibits low micromolar inhibition with clear noncompetitive behavior
FAD

-
and analogs
hydroxylamine

-
-
hydroxylamine
-
different experimentators found inhibition or no inhibition
hydroxylamine
-
no inactivation
Thiol-blocking reagents

-
DL-Glu protects from inactivation
-
Thiol-blocking reagents
-
-
-
additional information

-
the pressure does not affect catalysis after substrate binding
-
additional information
no inhibition by beta-fluoroalanine (BFA, racemic mixture) and O-acetyl-D-serine (OADS)
-
additional information
-
library screening for inhibitory compounds, two Zn (II) and Mn (III) 1,3,5-triazapentadienate complexes are found to efficiently inhibit the glutamate racemase activity. The metal complexes affect the enzyme activity by binding to the enzyme-substrate complex and promoting the formation of an inhibited dimeric form of the enzyme. Evaluation of a series of compounds, including 1H-benzimidazole-2-sulfonic acid, dipicolinic acid, 4-hydroxybenzene-1,3-disulfonate, and (2R)-2-amino-4-benzylpentanedioic acid, which are already known inhibitors of different bacterial glutamate racemases, for inhibitory activity on the enzyme, inhibition mechanism of BcGR by metal complexes, overview
-
additional information
-
in contrast to MurI of Helicobacter pylori no inhibition by D-glutamate
-
additional information
-
substrate-product analogue inhibitor synthesis and evaluation, overview
-
additional information
-
in contrast to MurI of Helicobacter pylori no inhibition by D-glutamate
-
additional information
-
in contrast to MurI of Helicobacter pylori no inhibition by D-glutamate
-
additional information
although Tris-HCl isthe buffer most commonly employed when assaying glutamate racemases from various microbial sources, FnGR is slightly inhibited in this buffer, kcat values are reduced 14% and 25% in the L-D and D-L reaction directions at pH 8.0, respectively relative to the corresponding values observed using the phosphate assay buffer
-
additional information
-
design of inhibitors of glutamate racemase as selective antibacterial agents, incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty, structure-activity relationships, MIC values with wild-type Helicobacter pylori strain 055 and mutant strain hefC-, overview. Substituents on the inhibitor scaffold are varied to optimize target potency, antibacterial activity, and in vivo pharmacokinetic stability
-
additional information
-
insensitive to carbonyl reagents such as hydroxylamine, phenylhydrazine, or NaBH4
-
additional information
no inhibition by beta-fluoroalanine (BFA, racemic mixture) and O-acetyl-D-serine (OADS). MtMurI adopts a unique oligomeric configuration and contains distinct active-site architectural differences from other MurI orthologues and that dimer interface mutations are required to introduce catalytic capability. Conventional MurI inhibitors are inactive against this recombinant form of mycobacterial MurI, the selective inhibitory activity of BCDA against MtMurI may arise from unique protein-ligand interactions unseen in orthologous MurIs. MsMurI results demonstrate these same structural features and yet BCDA does not appear to act via MurI in this bacterium
-
additional information
-
no inhibition by beta-fluoroalanine (BFA, racemic mixture) and O-acetyl-D-serine (OADS). MtMurI adopts a unique oligomeric configuration and contains distinct active-site architectural differences from other MurI orthologues and that dimer interface mutations are required to introduce catalytic capability. Conventional MurI inhibitors are inactive against this recombinant form of mycobacterial MurI, the selective inhibitory activity of BCDA against MtMurI may arise from unique protein-ligand interactions unseen in orthologous MurIs. MsMurI results demonstrate these same structural features and yet BCDA does not appear to act via MurI in this bacterium
-
additional information
inhibitor screening, compounds designed to target other glutamate racemases have been screened but do not inhibit mycobacterial MurI, suggesting that a different drug design effort will be needed to develop inhibitors. A distinct type of MurI dimer arrangement is observed in both structures, and this arrangement becomes the third biological dimer geometry for MurI found
-
additional information
-
inhibitor screening, compounds designed to target other glutamate racemases have been screened but do not inhibit mycobacterial MurI, suggesting that a different drug design effort will be needed to develop inhibitors. A distinct type of MurI dimer arrangement is observed in both structures, and this arrangement becomes the third biological dimer geometry for MurI found
-
additional information
development of a class of Mycobacterium tuberculosis (Mtb) inhibitors by exploring the pharmaceutically underexploited enzyme targets which are majorly involved in cell wall biosynthesis of mycobacteria, compoud library screening using a thermal shift assay. Identification of two lead compounds, optimization and expansion result in twenty four compounds. Molecular docking and dynamic studies using the D-glutamate bound glutamate racemase structures of Mycobacterium tuberculosis (PDB ID 5HJ7) and Bacillus subtilis (PDB ID 1ZUW), simulations and modeling, overview. The compounds are also tested on their cytotoxicity and in a Myconacterium tuberculosis biofilm assay, activity profile of compounds in nutrient starved stress model, overview
-
additional information
-
development of a class of Mycobacterium tuberculosis (Mtb) inhibitors by exploring the pharmaceutically underexploited enzyme targets which are majorly involved in cell wall biosynthesis of mycobacteria, compoud library screening using a thermal shift assay. Identification of two lead compounds, optimization and expansion result in twenty four compounds. Molecular docking and dynamic studies using the D-glutamate bound glutamate racemase structures of Mycobacterium tuberculosis (PDB ID 5HJ7) and Bacillus subtilis (PDB ID 1ZUW), simulations and modeling, overview. The compounds are also tested on their cytotoxicity and in a Myconacterium tuberculosis biofilm assay, activity profile of compounds in nutrient starved stress model, overview
-
additional information
inhibitor screening, compounds designed to target other glutamate racemases have been screened but do not inhibit mycobacterial MurI, suggesting that a different drug design effort will be needed to develop inhibitors. A distinct type of MurI dimer arrangement is observed in both structures, and this arrangement becomes the third biological dimer geometry for MurI found
-
additional information
-
inhibitor screening, compounds designed to target other glutamate racemases have been screened but do not inhibit mycobacterial MurI, suggesting that a different drug design effort will be needed to develop inhibitors. A distinct type of MurI dimer arrangement is observed in both structures, and this arrangement becomes the third biological dimer geometry for MurI found
-
additional information
-
no inactivation by carbonyl reagents such as hydroxylamine and NaBH4
-
additional information
-
in contrast to MurI of Helicobacter pylori no inhibition by D-glutamate
-
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24.1
(R,S)-1-hydroxy-1-oxo-4-amino-4-carboxyphosphorinane
Enterococcus faecalis
-
pH and temperature not specified in the publication
215
(R,S)-4-amino-4-carboxy-1,1-dioxotetrahydro-thiopyran
Enterococcus faecalis
-
pH and temperature not specified in the publication
21.2
1,1-dioxo-tetrahydrothiopyran-4-one
Enterococcus faecalis
-
pH and temperature not specified in the publication
0.0068
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)thiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)thiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.0088
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-phenylthiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-phenylurea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-chlorophenyl)thiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.0115
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-chlorophenyl)urea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.0011
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-fluorophenyl)thiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.00182
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-fluorophenyl)urea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-methoxyphenyl)urea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.0044
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)thiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(4-nitrophenyl)urea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)thiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.00835
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-(p-tolyl)urea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.0013
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-benzylthiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-benzylurea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.00712
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-isopropylurea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-phenylthiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-(3-(benzo[d]oxazol-2-yl)phenyl)-3-phenylurea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-(4-chlorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-(4-chlorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.0228
1-(4-fluorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.0085
1-(4-fluorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.025
1-(4-methoxyphenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)urea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
0.025
1-benzyl-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thiourea
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
47.7
1-hydroxyphosphinan-4-one 1-oxide
Enterococcus faecalis
-
pH and temperature not specified in the publication
0.0009 - 0.0038
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione
0.0014 - 0.0025
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
0.0022 - 0.0026
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
0.007 - 0.4
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
105
2-amino-4-phosphonobutanoic acid
Enterococcus faecalis
-
pH and temperature not specified in the publication
0.000026 - 0.0027
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
0.000033
2-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
0.000069
2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000079
2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00017
2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00026
2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methyl-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00046
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(pent-4-yn-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000056
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(prop-2-en-1-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000024
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(prop-2-yn-1-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00022
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00017
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-5-[4-(morpholin-4-yl)but-2-yn-1-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000054
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(3-hydroxyprop-2-yn-1-yl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000072
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00081
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-1H-1,2,4-triazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000041
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.0009
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00022
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-1H-pyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00023
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000034
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
0.00015
2-[2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00025
2-[2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00025
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000089
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-yn-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00018
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000087
2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazole-4-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00074
3-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00028
3-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.0028
3-(3-chlorothiophen-2-yl)-5-(furan-2-yl)-N-methyl-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.000039
3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.007
3-(5-methylbenzo[d]oxazol-2-yl)aniline
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
-
0.025
3-(benzo[d]oxazol-2-yl)aniline
Mycobacterium tuberculosis
above, pH 8.0, 37°C, recombinant enzyme
-
2.9
3-sulfobenzoic acid
Bacillus subtilis
structural analogue of dipicolinate dianion
0.0015 - 0.0031
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione
0.00065 - 0.0015
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione
0.0011 - 0.0035
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione
0.0076 - 0.021
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione
0.0024 - 0.0064
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione
0.0019 - 0.052
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione
0.00022
4-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylfuran-2-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000063
5-(but-2-yn-1-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.002
5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.0014
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000062
5-[2-[(6-chloroquinolin-4-yl)methyl]-5,7-bis(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000055
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-(cyanomethyl)-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00008
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-cyclopropyl-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000086
5-[2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00007
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000028
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(prop-2-yn-1-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00024
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-(propan-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00067
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[2-(1H-1,2,3-triazol-1-yl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00047
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000013
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[4-(1H-1,2,4-triazol-1-yl)but-2-yn-1-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00012
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-[4-(1H-pyrazol-1-yl)but-2-yn-1-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000088
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(2-hydroxyethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000057
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-yn-1-yl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00007
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000026
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00006
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methylfuran-2-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00026
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-[4-(1H-imidazol-1-yl)but-2-yn-1-yl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000051
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-[4-(morpholin-4-yl)but-2-yn-1-yl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.000016
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-[5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl]-1H-pyrrole-3-sulfonamide
Helicobacter pylori
-
0.000074
5-[5-(but-2-yn-1-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.00016
5-[5-(but-3-yn-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile
Helicobacter pylori
-
pH and temperature not specified in the publication
0.0043 - 0.0044
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine
0.0353
bis(2,4-bis (trichloromethyl)-1,3,5-triazapentadienato)-Zn(II) complex
Burkholderia cenocepacia
-
recombinant enzyme, pH 8.0, 37°C
-
60.4
bis(2-carboxyethyl)-phosphinic acid
Enterococcus faecalis
-
pH and temperature not specified in the publication
0.15
dipicolinic acid
Burkholderia cenocepacia
-
recombinant enzyme, pH 8.0, 37°C
0.0044 - 0.361
exiguaquinol
0.0017
N,8-dimethyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.00625
N-benzyl-N'-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]urea
Mycobacterium tuberculosis
pH 8.0, 37°C, recombinant enzyme
0.0007
N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.0006
N-methyl-5-(1H-pyrrol-3-yl)-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.0022
N-methyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
Helicobacter pylori
-
0.0014 - 0.4
pyrazolopyrimidinedione analogue
-
0.01
tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienate)-Mn(III) complex
Burkholderia cenocepacia
-
recombinant enzyme, pH 8.0, 37°C
0.0009
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione

Enterococcus faecalis
-
-
0.0038
2-(butylsulfanyl)-8-(4-fluorobenzyl)-4-(methylamino)-5,8-dihydropteridine-6,7-dione
Staphylococcus aureus
-
-
0.0014
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine

Enterococcus faecalis
-
0.0025
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
Enterococcus faecium
-
0.0022
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine

Enterococcus faecalis
-
0.0026
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
Enterococcus faecium
-
0.007
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine

Enterococcus faecalis
-
-
0.018
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
Enterococcus faecium
-
-
0.4
2-(butylsulfanyl)-9-(4-nitrophenyl)-9H-purin-6-amine
Staphylococcus aureus
-
-
0.000026
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine

Helicobacter pylori
-
0.002
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
Enterococcus faecalis
-
0.0027
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
Enterococcus faecium
-
0.000034
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Helicobacter pylori
-
0.000034
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-[1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Helicobacter pylori
-
pH and temperature not specified in the publication
0.0015
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione

Enterococcus faecalis
-
-
0.0031
4-amino-2-(butylsulfanyl)-8-(2,6-difluorobenzyl)-5,8-dihydropteridine-6,7-dione
Staphylococcus aureus
-
-
0.00065
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione

Enterococcus faecalis
-
-
0.0015
4-amino-2-(butylsulfanyl)-8-(3,4-dichlorobenzyl)-5,8-dihydropteridine-6,7-dione
Staphylococcus aureus
-
-
0.0011
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione

Staphylococcus aureus
-
-
0.0035
4-amino-2-(butylsulfanyl)-8-(4-fluorobenzyl)-5,8-dihydropteridine-6,7-dione
Enterococcus faecalis
-
-
0.0076
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione

Staphylococcus aureus
-
-
0.021
4-amino-8-benzyl-2-(benzylsulfanyl)-5,8-dihydropteridine-6,7-dione
Enterococcus faecalis
-
-
0.0024
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione

Enterococcus faecalis
-
-
0.0064
4-amino-8-benzyl-2-(butylsulfanyl)-5,8-dihydropteridine-6,7-dione
Staphylococcus aureus
-
-
0.0019
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione

Enterococcus faecalis
-
-
0.052
4-amino-8-benzyl-2-(cyclopentylsulfanyl)-5,8-dihydropteridine-6,7-dione
Staphylococcus aureus
-
-
0.0043
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine

Enterococcus faecalis
-
0.0044
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine
Enterococcus faecium
-
0.0044
exiguaquinol

Helicobacter pylori
-
substrate D-serine-O-sulfate
0.361
exiguaquinol
Helicobacter pylori
-
substrate D-glutamate
0.0014
pyrazolopyrimidinedione analogue

Helicobacter pylori
-
a pyrazolopyrimidinedione analogue (compound A) identified by a high-throughput screen demonstrates inhibition with excellent selectivity for MurI of Helicobacter pylori, it is time-independent, fully-reversible and insensitive to changes in enzyme or detergent concentration
-
0.4
pyrazolopyrimidinedione analogue
Escherichia coli
-
value above 0.4, a pyrazolopyrimidinedione analogue (compound A) identified by a high-throughput screen demonstrates inhibition with excellent selectivity for MurI of Helicobacter pylori but not for MurI of Escherichia coli
-
0.4
pyrazolopyrimidinedione analogue
Staphylococcus aureus
-
value above 0.4, a pyrazolopyrimidinedione analogue (compound A) identified by a high-throughput screen demonstrates inhibition with excellent selectivity for MurI of Helicobacter pylori but not for MurI of Staphylococcus aureus
-
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