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TitleImidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Journal, issue, pagesChemmedchem, Vol. 11, Page 217-233, Year 2016
Publish dateJun 15, 2015 (structure data deposition date)
AuthorsLovering, F. / Aevazelis, C. / Chang, J. / Dehnhardt, C. / Fitz, L. / Han, S. / Janz, K. / Lee, J. / Kaila, N. / McDonald, J. ...Lovering, F. / Aevazelis, C. / Chang, J. / Dehnhardt, C. / Fitz, L. / Han, S. / Janz, K. / Lee, J. / Kaila, N. / McDonald, J. / Moore, W. / Moretto, A. / Papaioannou, N. / Richard, D. / Ryan, M.S. / Wan, Z.K. / Thorarensen, A.
External linksChemmedchem / PubMed:26381330
MethodsX-ray diffraction
Resolution1.95 - 2.15 Å
Structure data

PDB-5c26:
Crystal structure of SYK in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5c27:
Crystal structure of SYK in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-50H:
3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide

ChemComp-HOH:
WATER

ChemComp-50J:
3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Spleen Tyrosine Kinase / Inhibitor / TRANSFERASE-INHIBITOR complex

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