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4K5J
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH (S)-1,3-BIS((2-AMINO-4-METHYLPYRIDIN-6-YL)-METHOXY)-BUTAN-4-AMINE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4K5K
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH ((2S, 3S)-1,3-BIS((6-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLPYRIDIN-2-YL)METHOXY)-2-AMINOBUTANE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4LUW
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-((((3R,5S)-5-(((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LUX
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-((((3R,5S)-5-(((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MPZ
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CRYSTAL STRUCTURE OF TCP10C DOMAIN OF DROSOPHILA MELANOGASTER SAS-4
Descriptor:Sas-4, IMIDAZOLE
Authors:Li, H., Zheng, X.
Deposit date:2013-09-14
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014
4UCH
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STRUCTURE OF HUMAN NNOS R354A G357D MUTANT HEME DOMAIN IN COMPLEX WITH 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-12-03
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UGZ
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PHENYL)-N1, N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NEURONAL NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.076 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH0
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(6-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-2- YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH1
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3- YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH2
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH3
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5- FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH4
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH5
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STRUCTURE OF HUMAN NNOS R354A G357D MUTANT HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NEURONAL NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH6
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STRUCTURE OF HUMAN NNOS R354A G357D MUTANT HEME DOMAIN IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH8
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3- YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH9
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5- FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UHA
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J. Med. Chem., 58, 2015
4UPM
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N',N'-{[(2R)-3-AMINOPROPANE-1,2-DIYL]BIS(OXYMETHANEDIYLBENZENE-3,1-DIYL)}DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NEURONAL NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPN
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N,N''-{[(2S)-3-AMINOPROPANE-1,2-DIYL]BIS(OXYMETHANEDIYLBENZENE-3,1-DIYL)}DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NEURONAL NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPO
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-[3-({[(3S,5S)-5-{[(3-{[(Z)-IMINO(THIOPHEN-2-YL)METHYL]AMINO}BENZYL)OXY]METHYL}PYRROLIDIN-3-YL]OXY}METHYL)PHENYL]THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPP
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N'-[4-[[(2S,4R)-4-[3-[(C-THIOPHEN-2-YLCARBONIMIDOYL)AMINO]PHENOXY]PYRROLIDIN-2-YL]METHOXY]PHENYL]THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPQ
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N',N'-{[(2R)-3-AMINOPROPANE-1,2-DIYL]BIS(OXYMETHANEDIYLBENZENE-3,1-DIYL)}DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPR
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N,N''-{[(2S)-3-AMINOPROPANE-1,2-DIYL]BIS(OXYMETHANEDIYLBENZENE-3,1-DIYL)}DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPS
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-[3-({[(3S,5S)-5-{[(3-{[(Z)-IMINO(THIOPHEN-2-YL)METHYL]AMINO}BENZYL)OXY]METHYL}PYRROLIDIN-3-YL]OXY}METHYL) PHENYL]THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPT
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N'-[4-[[(2S,4R)-4-[3-[(C-THIOPHEN-2-YLCARBONIMIDOYL)AMINO]PHENOXY]PYRROLIDIN-2-YL]METHOXY]PHENYL]THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014