6OVA

Crystal Structure of TYK2 with novel pyrrolidinone inhibitor

Summary for 6OVA

Entry DOI	10.2210/pdb6ova/pdb
Descriptor	Non-receptor tyrosine-protein kinase TYK2, 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide (3 entities in total)
Functional Keywords	inhibitor, complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	35235.30
Authors	Skene, R.J.,Hoffman, I.D. (deposition date: 2019-05-07, release date: 2020-02-12, Last modification date: 2024-03-13)
Primary citation	Sasaki, Y.,Tokuhara, H.,Ohba, Y.,Okabe, A.,Nakayama, M.,Nakagawa, H.,Skene, R.,Hoffman, I.,Zou, H.,Yoshida, M. Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors. Bioorg.Med.Chem.Lett., 30:126963-126963, 2020 Cited by PubMed Abstract: Herein we report an efficient method for the synthesis of a highly functionalized 2-pyrrolidinone, tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylate, from readily available starting materials. Utility of this compound was demonstrated in the synthesis of a novel series of macrocyclic Tyk2 inhibitors, leading to the identification of a potent and selective macrocyclic Tyk2 inhibitor (26). PubMed: 31980341 DOI: 10.1016/j.bmcl.2020.126963 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation