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Structure paper

TitleDesign and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Journal, issue, pagesEur J Med Chem, Vol. 145, Page 389-403, Year 2018
Publish dateJun 15, 2017 (structure data deposition date)
AuthorsChen, X. / Huan, X. / Liu, Q. / Wang, Y. / He, Q. / Tan, C. / Chen, Y. / Ding, J. / Xu, Y. / Miao, Z. / Yang, C.
External linksEur J Med Chem / PubMed:29335205
MethodsX-ray diffraction
Resolution2.3 - 2.4 Å
Structure data

PDB-5xsr:
novel orally efficacious inhibitors complexed with PARP1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5xst:
novel orally efficacious inhibitors complexed with PARP1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5xsu:
novel orally efficacious inhibitors complexed with PARP1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-8EC:
6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-8E6:
6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

ChemComp-8E3:
6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / complex structure / TRANSFERASE-TRANSFERASE INHIBITOR complex

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