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TitleEfficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 8879-8891, Year 2013
Publish dateAug 23, 2013 (structure data deposition date)
AuthorsWassermann, A.M. / Kutchukian, P.S. / Lounkine, E. / Luethi, T. / Hamon, J. / Bocker, M.T. / Malik, H.A. / Cowan-Jacob, S.W. / Glick, M.
External linksJ. Med. Chem. / PubMed:24117015
MethodsX-ray diffraction
Resolution1.72 Å
Structure data

PDB-4c3f:
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-7KW:
N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE

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