5XSR

novel orally efficacious inhibitors complexed with PARP1

Summary for 5XSR

• Entry DOI: 10.2210/pdb5xsr/pdb
• Descriptor: Poly [ADP-ribose] polymerase 1, 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: complex structure, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : P09874
• Total number of polymer chains: 1
• Total formula weight: 40088.74

Authors

Liu, Q.,Xu, Y. (deposition date: 2017-06-15, release date: 2018-04-25, Last modification date: 2023-11-22)

• Primary citation: Chen, X.,Huan, X.,Liu, Q.,Wang, Y.,He, Q.,Tan, C.,Chen, Y.,Ding, J.,Xu, Y.,Miao, Z.,Yang, C.; Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors; Eur J Med Chem, 145:389-403, 2018; PubMed: 29335205; DOI: 10.1016/j.ejmech.2018.01.018

Experimental method

X-RAY DIFFRACTION (2.3 Å)