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TitleDiscovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 43, Page 128058-128058, Year 2021
Publish dateApr 8, 2021 (structure data deposition date)
AuthorsCalvo, V. / Surguladze, D. / Li, A.H. / Surman, M.D. / Malibhatla, S. / Bandaru, M. / Jonnalagadda, S.K. / Adarasandi, R. / Velmala, M. / Singireddi, D.R.P. ...Calvo, V. / Surguladze, D. / Li, A.H. / Surman, M.D. / Malibhatla, S. / Bandaru, M. / Jonnalagadda, S.K. / Adarasandi, R. / Velmala, M. / Singireddi, D.R.P. / Velpuri, M. / Nareddy, B.R. / Sastry, V. / Mandati, C. / Guguloth, R. / Siddiqui, S. / Patil, B.S. / Chad, E. / Wolfley, J. / Gasparek, J. / Feldman, K. / Betzenhauser, M. / Wiens, B. / Koszelak-Rosenblum, M. / Zhu, G. / Du, H. / Rigby, A.C. / Mulvihill, M.J.
External linksBioorg. Med. Chem. Lett. / PubMed:33895276
MethodsX-ray diffraction
Resolution2.809 Å
Structure data

PDB-7mf0:
Co-crystal structure of PERK with inhibitor (R)-2-amino-N-cyclopropyl-5-(4-(2-(3,5-difluorophenyl)-2-hydroxyacetamido)-2-methylphenyl)nicotinamide
Method: X-RAY DIFFRACTION / Resolution: 2.809 Å

Chemicals

ChemComp-Z6P:
2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / PERK / inhibitor / HC5469

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