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TitleStructure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 1803-1808, Year 2016
Publish dateJan 29, 2016 (structure data deposition date)
AuthorsSimov, V. / Deshmukh, S.V. / Dinsmore, C.J. / Elwood, F. / Fernandez, R.B. / Garcia, Y. / Gibeau, C. / Gunaydin, H. / Jung, J. / Katz, J.D. ...Simov, V. / Deshmukh, S.V. / Dinsmore, C.J. / Elwood, F. / Fernandez, R.B. / Garcia, Y. / Gibeau, C. / Gunaydin, H. / Jung, J. / Katz, J.D. / Kraybill, B. / Lapointe, B. / Patel, S.B. / Siu, T. / Su, H. / Young, J.R.
External linksBioorg. Med. Chem. Lett. / PubMed:26927423
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-5hx8:
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-66P:
4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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