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TitleDiscovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4511-4516, Year 2013
Publish dateJun 10, 2013 (structure data deposition date)
AuthorsHornberger, K.R. / Chen, X. / Crew, A.P. / Kleinberg, A. / Ma, L. / Mulvihill, M.J. / Wang, J. / Wilde, V.L. / Albertella, M. / Bittner, M. ...Hornberger, K.R. / Chen, X. / Crew, A.P. / Kleinberg, A. / Ma, L. / Mulvihill, M.J. / Wang, J. / Wilde, V.L. / Albertella, M. / Bittner, M. / Cooke, A. / Kadhim, S. / Kahler, J. / Maresca, P. / May, E. / Meyn, P. / Romashko, D. / Tokar, B. / Turton, R.
External linksBioorg. Med. Chem. Lett. / PubMed:23856049
MethodsX-ray diffraction
Resolution2.55 Å
Structure data

PDB-4l53:
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-1UO:
trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TAK1 kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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