6NM8

IgV-V76T BMS compound 105

6NM8 の概要

• エントリーDOI: 10.2210/pdb6nm8/pdb
• 分子名称: Programmed cell death 1 ligand 1, N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine (2 entities in total)
• 機能のキーワード: fragment-based screening, structure-based design, pd-l1 inhibitor, cancer drug discovery, immunotherapy, immune system, immune system-inhibitor complex, immune system/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30059.37

構造登録者

Perry, E.,Zhao, B.,Fesik, S. (登録日: 2019-01-10, 公開日: 2019-02-20, 最終更新日: 2024-11-06)

主引用文献

Perry, E.,Mills, J.J.,Zhao, B.,Wang, F.,Sun, Q.,Christov, P.P.,Tarr, J.C.,Rietz, T.A.,Olejniczak, E.T.,Lee, T.,Fesik, S.
Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29:786-790, 2019

PubMed Abstract: The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.

PubMed: 30728114
DOI: 10.1016/j.bmcl.2019.01.028

実験手法

X-RAY DIFFRACTION (2.792 Å)