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BU of 6iar by Molmil

Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists
分子名称:	3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor
著者	Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R.
登録日	2018-11-27
公開日	2019-01-23
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (1.84 Å)
主引用文献	Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J.Med.Chem., 62, 2019

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BU of 5fqs by Molmil

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.
分子名称:	(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR
著者	Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日	2015-12-14
公開日	2016-02-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016

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BU of 5fqp by Molmil

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1.
分子名称:	(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者	Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日	2015-12-14
公開日	2016-02-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016

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BU of 5fqv by Molmil

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5.
分子名称:	(E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者	Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日	2015-12-14
公開日	2016-02-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.74 Å)
主引用文献	Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016

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BU of 5fqt by Molmil

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4.
分子名称:	(E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者	Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日	2015-12-14
公開日	2016-02-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.99 Å)
主引用文献	Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016

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BU of 5k7g by Molmil

IRAK4 in complex with AZ3862
分子名称:	(3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者	Ferguson, A.D.
登録日	2016-05-26
公開日	2017-12-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.23 Å)
主引用文献	Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017

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BU of 5k76 by Molmil

IRAK4 in complex with Compound 28
分子名称:	Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者	Ferguson, A.D.
登録日	2016-05-25
公開日	2017-12-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.74 Å)
主引用文献	Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017

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BU of 5k7i by Molmil

IRAK4 in complex with AZ3864
分子名称:	(3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者	Ferguson, A.D.
登録日	2016-05-26
公開日	2017-12-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.31 Å)
主引用文献	Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017

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BU of 5k75 by Molmil

IRAK4 in complex with Compound 1
分子名称:	Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine
著者	Ferguson, A.D.
登録日	2016-05-25
公開日	2017-12-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.03 Å)
主引用文献	Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017

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BU of 5k72 by Molmil

IRAK4 in complex with Compound 21
分子名称:	Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
著者	Ferguson, A.D.
登録日	2016-05-25
公開日	2017-12-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.22 Å)
主引用文献	Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017

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BU of 5fqr by Molmil

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2.
分子名称:	(E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR
著者	Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日	2015-12-14
公開日	2016-02-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016

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BU of 4ixc by Molmil

Crystal structure of Human Glucokinase in complex with a small molecule activator.
分子名称:	(2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者	Ogg, D.J, Hargreaves, D, Gerhardt, S.
登録日	2013-01-25
公開日	2013-04-24
最終更新日	2020-07-29
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content To be Published

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BU of 4iwv by Molmil

Crystals structure of Human Glucokinase in complex with small molecule activator
分子名称:	(2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者	Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
登録日	2013-01-24
公開日	2013-04-24
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published

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件を2024-08-07に公開中

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