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Structure paper

TitleSynthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 2330-, Year 2012
Publish dateMar 30, 2011 (structure data deposition date)
AuthorsOza, V. / Ashwell, S. / Brassil, P. / Breed, J. / Ezhuthachan, J. / Deng, C. / Grondine, M. / Horn, C. / Liu, D. / Lyne, P. ...Oza, V. / Ashwell, S. / Brassil, P. / Breed, J. / Ezhuthachan, J. / Deng, C. / Grondine, M. / Horn, C. / Liu, D. / Lyne, P. / Newcombe, N. / Pass, M. / Read, J. / Su, M. / Toader, D. / Yu, D. / Yu, Y. / Zabludoff, S.
External linksBioorg. Med. Chem. Lett. / PubMed:22342147
MethodsX-ray diffraction
Resolution1.3 - 1.83 Å
Structure data

PDB-2yer:
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-2yex:
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-TQ1:
5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-YEX:
5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CELL CYCLE / CHK

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