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TitleStrategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 2793-, Year 2013
Publish dateNov 16, 2012 (structure data deposition date)
AuthorsLynch, S.M. / Devicente, J. / Hermann, J.C. / Jaime-Figueroa, S. / Jin, S. / Kuglstatter, A. / Li, H. / Lovey, A. / Menke, J. / Niu, L. ...Lynch, S.M. / Devicente, J. / Hermann, J.C. / Jaime-Figueroa, S. / Jin, S. / Kuglstatter, A. / Li, H. / Lovey, A. / Menke, J. / Niu, L. / Patel, V. / Roy, D. / Soth, M. / Steiner, S. / Tivitmahaisoon, P. / Vu, M.D. / Yee, C.
External linksBioorg. Med. Chem. Lett. / PubMed:23540648
MethodsX-ray diffraction
Resolution2.42 Å
Structure data

PDB-3zc6:
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-VFC:
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SCID / SEVERE COMBINED IMMUNODEFICIENCY / STAT5 / STAT6 / INTERLEUKIN-2 / COMMON-GAMMA CHAIN / ATP SITE KINASE INHIBITOR / CANCER

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