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TitleDiscovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 7710-7728, Year 2018
Publish dateMar 1, 2018 (structure data deposition date)
AuthorsIto, M. / Tanaka, T. / Toita, A. / Uchiyama, N. / Kokubo, H. / Morishita, N. / Klein, M.G. / Zou, H. / Murakami, M. / Kondo, M. ...Ito, M. / Tanaka, T. / Toita, A. / Uchiyama, N. / Kokubo, H. / Morishita, N. / Klein, M.G. / Zou, H. / Murakami, M. / Kondo, M. / Sameshima, T. / Araki, S. / Endo, S. / Kawamoto, T. / Morin, G.B. / Aparicio, S.A. / Nakanishi, A. / Maezaki, H. / Imaeda, Y.
External linksJ. Med. Chem. / PubMed:30067358
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-6ckx:
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-8M1:
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Kinase / Transferase / Inhibitor / Transferase-Cell Cycle-Inhibitor complex / TRANSFERASE-INHIBITOR complex

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