7MF0

Co-crystal structure of PERK with inhibitor (R)-2-amino-N-cyclopropyl-5-(4-(2-(3,5-difluorophenyl)-2-hydroxyacetamido)-2-methylphenyl)nicotinamide

This is a non-PDB format compatible entry.

Summary for 7MF0

• Entry DOI: 10.2210/pdb7mf0/pdb
• Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide (2 entities in total)
• Functional Keywords: kinase, perk, inhibitor, hc5469, transferase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 37268.82

Authors

Wiens, B.,Koszelak-Rosenblum, M.,Surman, M.D.,Zhu, G.,Mulvihill, M.J. (deposition date: 2021-04-08, release date: 2021-05-19, Last modification date: 2023-10-18)

• Primary citation: 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.; Discovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors.; Bioorg.Med.Chem.Lett., 43:128058-128058, 2021; PubMed: 33895276; DOI: 10.1016/j.bmcl.2021.128058

Experimental method

X-RAY DIFFRACTION (2.809 Å)