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Structure paper

TitleDiscovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1767-1772, Year 2011
Publish dateOct 14, 2010 (structure data deposition date)
AuthorsOhwada, J. / Ebiike, H. / Kawada, H. / Tsukazaki, M. / Nakamura, M. / Miyazaki, T. / Morikami, K. / Yoshinari, K. / Yoshida, M. / Kondoh, O. ...Ohwada, J. / Ebiike, H. / Kawada, H. / Tsukazaki, M. / Nakamura, M. / Miyazaki, T. / Morikami, K. / Yoshinari, K. / Yoshida, M. / Kondoh, O. / Kuramoto, S. / Ogawa, K. / Aoki, Y. / Shimma, N.
External linksBioorg. Med. Chem. Lett. / PubMed:21316229
MethodsX-ray diffraction
Resolution2.544 - 2.82 Å
Structure data

PDB-3apc:
Crystal structure of human PI3K-gamma in complex with CH5132799
Method: X-RAY DIFFRACTION / Resolution: 2.544 Å

PDB-3apd:
Crystal structure of human PI3K-gamma in complex with CH5108134
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-3apf:
Crystal structure of human PI3K-gamma in complex with CH5039699
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

Chemicals

ChemComp-MMD:
5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-MMY:
5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine

ChemComp-BMW:
3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / phosphoinositide 3-kinase gamma / Kinase / Transferase / Transferase-Transferase inhibitor complex

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