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TitleSynthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 3937-3942, Year 2006
Publish dateApr 5, 2006 (structure data deposition date)
AuthorsKim, K.S. / Lu, S. / Cornelius, L.A. / Lombardo, L.J. / Borzilleri, R.M. / Schroeder, G.M. / Sheng, C. / Rovnyak, G. / Crews, D. / Schmidt, R.J. ...Kim, K.S. / Lu, S. / Cornelius, L.A. / Lombardo, L.J. / Borzilleri, R.M. / Schroeder, G.M. / Sheng, C. / Rovnyak, G. / Crews, D. / Schmidt, R.J. / Williams, D.K. / Bhide, R.S. / Traeger, S.C. / McDonnell, P.A. / Mueller, L. / Sheriff, S. / Newitt, J.A. / Pudzianowski, A.T. / Yang, Z. / Wild, R. / Lee, F.Y. / Batorsky, R. / Ryder, J.S. / Ortega-Nanos, M. / Shen, H. / Gottardis, M. / Roussell, D.L.
External linksBioorg. Med. Chem. Lett. / PubMed:16730979
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-2gm1:
Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-2AZ:
N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / Eg5 Mg-ADP Complex Inhibitor

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