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TitleMSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 837-854, Year 2023
Publish dateApr 13, 2022 (structure data deposition date)
AuthorsSchroder, M. / Leiendecker, M. / Gradler, U. / Braun, J. / Blum, A. / Wanior, M. / Berger, B.T. / Kramer, A. / Muller, S. / Esdar, C. ...Schroder, M. / Leiendecker, M. / Gradler, U. / Braun, J. / Blum, A. / Wanior, M. / Berger, B.T. / Kramer, A. / Muller, S. / Esdar, C. / Knapp, S. / Heinrich, T.
External linksJ. Med. Chem. / PubMed:36516476
MethodsX-ray diffraction
Resolution2.06 - 2.28 Å
Structure data

PDB-7zks:
SRPK1 IN COMPLEX WITH INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-7zkx:
SRPK2 IN COMPLEX WITH INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-IXQ:
N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NO3:
NITRATE ION

ChemComp-ACT:
ACETATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / SRPK1 / NUCLEAR PROTEIN / SRPK2

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