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5J7B
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BU of 5j7b by Molmil
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex
分子名称: 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S.
登録日2016-04-06
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
6HMX
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BU of 6hmx by Molmil
RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
分子名称: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2018-09-13
公開日2018-11-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
5J79
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BU of 5j79 by Molmil
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex
分子名称: 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S.
登録日2016-04-06
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
6RN8
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BU of 6rn8 by Molmil
RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate
分子名称: 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2019-05-08
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
6RNA
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BU of 6rna by Molmil
RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol
分子名称: 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2019-05-08
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
6UL8
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BU of 6ul8 by Molmil
RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
分子名称: (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Shewchuk, L.M, Convery, M.A.
登録日2019-10-07
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
分子名称: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Charnley, A.K, Shewchuk, L.
登録日2019-10-02
公開日2019-10-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SZJ
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BU of 6szj by Molmil
RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide.
分子名称: 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Charnley, A.K, Shewchuk, L.
登録日2019-10-02
公開日2019-12-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019

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件を2024-06-12に公開中

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