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TitleDiscovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 172-178, Year 2020
Publish dateNov 19, 2019 (structure data deposition date)
AuthorsVelaparthi, U. / Darne, C.P. / Warrier, J. / Liu, P. / Rahaman, H. / Augustine-Rauch, K. / Parrish, K. / Yang, Z. / Swanson, J. / Brown, J. ...Velaparthi, U. / Darne, C.P. / Warrier, J. / Liu, P. / Rahaman, H. / Augustine-Rauch, K. / Parrish, K. / Yang, Z. / Swanson, J. / Brown, J. / Dhar, G. / Anandam, A. / Holenarsipur, V.K. / Palanisamy, K. / Wautlet, B.S. / Fereshteh, M.P. / Lippy, J. / Tebben, A.J. / Sheriff, S. / Ruzanov, M. / Yan, C. / Gupta, A. / Gupta, A.K. / Vetrichelvan, M. / Mathur, A. / Gelman, M. / Singh, R. / Kinsella, T. / Murtaza, A. / Fargnoli, J. / Vite, G. / Borzilleri, R.M.
External linksAcs Med. Chem. Lett. / PubMed:32071685
MethodsX-ray diffraction
Resolution1.67 - 1.83 Å
Structure data

PDB-5qtz:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-5qu0:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

Chemicals

ChemComp-QMY:
6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-QMV:
6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ALK5 / SB431542 / KINASE DOMAIN / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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