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TitleDiscovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 855-861, Year 2017
Publish dateDec 21, 2016 (structure data deposition date)
AuthorsQin, L.Y. / Ruan, Z. / Cherney, R.J. / Dhar, T.G. / Neels, J. / Weigelt, C.A. / Sack, J.S. / Srivastava, A.S. / Cornelius, L.A. / Tino, J.A. ...Qin, L.Y. / Ruan, Z. / Cherney, R.J. / Dhar, T.G. / Neels, J. / Weigelt, C.A. / Sack, J.S. / Srivastava, A.S. / Cornelius, L.A. / Tino, J.A. / Stefanski, K. / Gu, X. / Xie, J. / Susulic, V. / Yang, X. / Yarde-Chinn, M. / Skala, S. / Bosnius, R. / Goldstein, C. / Davies, P. / Ruepp, S. / Salter-Cid, L. / Bhide, R.S. / Poss, M.A.
External linksBioorg. Med. Chem. Lett. / PubMed:28108251
MethodsX-ray diffraction
Resolution2.4 - 2.83 Å
Structure data

PDB-5ubr:
CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5ubt:
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE
Method: X-RAY DIFFRACTION / Resolution: 2.83 Å

Chemicals

ChemComp-85S:
1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE REGULATOR / LIPID KINASE / INHIBITOR / PI3K ALPHA / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE-TRANSFERASE REGULATOR complex / PI3K DELTA

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