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TitleDesign and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 4183-4204, Year 2020
Publish dateAug 22, 2019 (structure data deposition date)
AuthorsShirai, F. / Mizutani, A. / Yashiroda, Y. / Tsumura, T. / Kano, Y. / Muramatsu, Y. / Chikada, T. / Yuki, H. / Niwa, H. / Sato, S. ...Shirai, F. / Mizutani, A. / Yashiroda, Y. / Tsumura, T. / Kano, Y. / Muramatsu, Y. / Chikada, T. / Yuki, H. / Niwa, H. / Sato, S. / Washizuka, K. / Koda, Y. / Mazaki, Y. / Jang, M.K. / Yoshida, H. / Nagamori, A. / Okue, M. / Watanabe, T. / Kitamura, K. / Shitara, E. / Honma, T. / Umehara, T. / Shirouzu, M. / Fukami, T. / Seimiya, H. / Yoshida, M. / Koyama, H.
External linksJ. Med. Chem. / PubMed:32202790
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-6kro:
Tankyrase-2 in complex with RK-582
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-DU9:
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

ChemComp-ZN:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Tankyrase / PARP / ADP-ribosylation / Transferase-transferase inhibitor complex

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