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TitleDiscovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4911-4918, Year 2013
Publish dateMar 18, 2013 (structure data deposition date)
AuthorsGummadi, V.R. / Rajagopalan, S. / Looi, C.Y. / Paydar, M. / Renukappa, G.A. / Ainan, B.R. / Krishnamurthy, N.R. / Panigrahi, S.K. / Mahasweta, K. / Raghuramachandran, S. ...Gummadi, V.R. / Rajagopalan, S. / Looi, C.Y. / Paydar, M. / Renukappa, G.A. / Ainan, B.R. / Krishnamurthy, N.R. / Panigrahi, S.K. / Mahasweta, K. / Raghuramachandran, S. / Rajappa, M. / Ramanathan, A. / Lakshminarasimhan, A. / Ramachandra, M. / Wong, P.F. / Mustafa, M.R. / Nanduri, S. / Hosahalli, S.
External linksBioorg. Med. Chem. Lett. / PubMed:23880539
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-4joa:
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-3DK:
3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Anaplastic Lymphoma Kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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