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Structure paper

TitleQuinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1270-1274, Year 2011
Publish dateNov 29, 2010 (structure data deposition date)
AuthorsLiu, K.K. / Huang, X. / Bagrodia, S. / Chen, J.H. / Greasley, S. / Cheng, H. / Sun, S. / Knighton, D. / Rodgers, C. / Rafidi, K. ...Liu, K.K. / Huang, X. / Bagrodia, S. / Chen, J.H. / Greasley, S. / Cheng, H. / Sun, S. / Knighton, D. / Rodgers, C. / Rafidi, K. / Zou, A. / Xiao, J. / Yan, S.
External linksBioorg. Med. Chem. Lett. / PubMed:21269826
MethodsX-ray diffraction
Resolution2.6 - 2.91 Å
Structure data

PDB-3pre:
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Method: X-RAY DIFFRACTION / Resolution: 2.91 Å

PDB-3prz:
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3ps6:
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-3RE:
2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one

ChemComp-3RZ:
4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide

ChemComp-3PS:
4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PHOSPHOINOSITIDE KINASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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