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TitleDiscovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 3666-3679, Year 2013
Publish dateMar 22, 2013 (structure data deposition date)
AuthorsDisch, J.S. / Evindar, G. / Chiu, C.H. / Blum, C.A. / Dai, H. / Jin, L. / Schuman, E. / Lind, K.E. / Belyanskaya, S.L. / Deng, J. ...Disch, J.S. / Evindar, G. / Chiu, C.H. / Blum, C.A. / Dai, H. / Jin, L. / Schuman, E. / Lind, K.E. / Belyanskaya, S.L. / Deng, J. / Coppo, F. / Aquilani, L. / Graybill, T.L. / Cuozzo, J.W. / Lavu, S. / Mao, C. / Vlasuk, G.P. / Perni, R.B.
External linksJ. Med. Chem. / PubMed:23570514
MethodsX-ray diffraction
Resolution1.7 - 2.26 Å
Structure data

PDB-4jsr:
Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide]
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4jt8:
Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-4jt9:
Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide]
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-1NQ:
N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide

ChemComp-HOH:
WATER

ChemComp-1NR:
4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

ChemComp-1NS:
4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Deacetylase / HYDROLASE-HYDROLASE INHIBITOR complex

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