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3U4O
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NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE C2 ACYL SULFONAMIDES
分子名称:RNA-directed RNA polymerase, 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Anilkumar, G.N., Selyutin, O., Rosenblum, S.B., Zeng, Q., Jiang, Y., Chan, T.-Y., Pu, H., Wang, L., Bennett, F., Chen, K.X., Lesburg, C.A., Duca, J.S., Gavalas, S., Huang, Y., Pinto, P., Sannigrahi, M., Velazquez, F., Venkataraman, S., Vilbubhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Huang, H.-C., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
3U4R
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NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE C2 ACYL SULFONAMIDES
分子名称:RNA-directed RNA polymerase, 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
著者Anilkumar, G.N., Selyutin, O., Rosenblum, S.B., Zeng, Q., Jiang, Y., Chan, T.-Y., Pu, H., Wang, L., Bennett, F., Chen, K.X., Lesburg, C.A., Duca, J.S., Gavalas, S., Huang, Y., Pinto, P., Sannagrahi, M., Velazquez, F., Venkataraman, S., Vilbubhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Huang, H.-C., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
3SKA
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION, 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKE
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION, 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKH
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
2YOJ
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HCV NS5B POLYMERASE COMPLEXED WITH PYRIDONYLINDOLE COMPOUND
分子名称:RNA-DIRECTED RNA POLYMERASE, 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION
著者Chen, K.X., Venkatraman, S., Anilkumar, G.N., Zeng, Q., Lesburg, C.A., Vibulbhan, B., Yang, W., Velazquez, F., Chan, T.-Y., Bennett, F., Sannigrahi, M., Jiang, Y., Duca, J.S., Pinto, P., Gavalas, S., Huang, Y., Wu, W., Selyutin, O., Agrawal, S., Feld, B., Huang, H.-C., Li, C., Cheng, K.-C., Shih, N.-Y., Kozlowski, J.A., Rosenblum, S.B., Njoroge, F.G.
登録日2012-10-24
公開日2013-10-09
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
3TYQ
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SAR DEVELOPMENT AND DISCOVERY OF POTENT INDOLE-BASED INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE
分子名称:RNA-directed RNA polymerase, 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Lesburg, C.A., Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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SAR DEVELOPMENT AND DISCOVERY OF POTENT INDOLE-BASED INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE
分子名称:RNA-directed RNA polymerase, PHOSPHATE ION, N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
著者Lesburg, C.A., Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
4MZ4
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DISCOVERY OF AN IRREVERSIBLE HCV NS5B POLYMERASE INHIBITOR
分子名称:RNA-directed RNA polymerase, 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Zeng, Q., Anilkumar, G.N., Rosenblum, S.B., Huang, H.-C., Lesburg, C.A., Jiang, Y., Selyutin, O., Chan, T.-Y., Bennett, F., Chen, K.X., Venkatraman, S., Sannigrahi, M., Velazquez, F., Duca, J.S., Gavalas, S., Huang, Y., Pu, H., Wang, L., Pinto, P., Vibulbhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Li, C., Hesk, D., Gesell, J., Sorota, S., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2013-09-29
公開日2013-12-11
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013