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TitleNovel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 38, Page 127858-127858, Year 2021
Publish dateMay 12, 2020 (structure data deposition date)
AuthorsYamamoto, H. / Sakai, N. / Ohte, S. / Sato, T. / Sekimata, K. / Matsumoto, T. / Nakamura, K. / Watanabe, H. / Mishima-Tsumagari, C. / Tanaka, A. ...Yamamoto, H. / Sakai, N. / Ohte, S. / Sato, T. / Sekimata, K. / Matsumoto, T. / Nakamura, K. / Watanabe, H. / Mishima-Tsumagari, C. / Tanaka, A. / Hashizume, Y. / Honma, T. / Katagiri, T. / Miyazono, K. / Tomoda, H. / Shirouzu, M. / Koyama, H.
External linksBioorg. Med. Chem. Lett. / PubMed:33609658
MethodsX-ray diffraction
Resolution1.802 Å
Structure data

PDB-7c3g:
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
Method: X-RAY DIFFRACTION / Resolution: 1.802 Å

Chemicals

ChemComp-FH0:
~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / kinase / inhibitor complex

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