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Title4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5222-, Year 2012
Publish dateJun 3, 2012 (structure data deposition date)
AuthorsLiddle, J. / Bamborough, P. / Barker, M.D. / Campos, S. / Chung, C. / Cousins, R.P.C. / Faulder, P. / Heathcote, M.L. / Hobbs, H. / Holmes, D.S. ...Liddle, J. / Bamborough, P. / Barker, M.D. / Campos, S. / Chung, C. / Cousins, R.P.C. / Faulder, P. / Heathcote, M.L. / Hobbs, H. / Holmes, D.S. / Ioannou, C. / Ramirez-Molina, C. / Morse, M.A. / Osborn, R. / Payne, J.J. / Pritchard, J.M. / Rumsey, W.L. / Tape, D.T. / Vicentini, G. / Whitworth, C. / Williamson, R.A.
External linksBioorg. Med. Chem. Lett. / PubMed:22801646
MethodsX-ray diffraction
Resolution1.91 Å
Structure data

PDB-4awi:
Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-AQ2:
N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE

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