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Structure paper

TitleHeterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI).
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 1026-1034, Year 2018
Publish dateOct 9, 2017 (structure data deposition date)
AuthorsHarikrishnan, L.S. / Warrier, J. / Tebben, A.J. / Tonukunuru, G. / Madduri, S.R. / Baligar, V. / Mannoori, R. / Seshadri, B. / Rahaman, H. / Arunachalam, P.N. ...Harikrishnan, L.S. / Warrier, J. / Tebben, A.J. / Tonukunuru, G. / Madduri, S.R. / Baligar, V. / Mannoori, R. / Seshadri, B. / Rahaman, H. / Arunachalam, P.N. / Dikundwar, A.G. / Fink, B.E. / Fargnoli, J. / Fereshteh, M. / Fan, Y. / Lippy, J. / Ho, C.P. / Wautlet, B. / Sheriff, S. / Ruzanov, M. / Borzilleri, R.M.
External linksBioorg. Med. Chem. / PubMed:29422332
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-6b8y:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-D0A:
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / ALK5 / KINASE DOMAIN / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE

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