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Structure paper

TitleDesign, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 7216-7221, Year 2010
Publish dateOct 18, 2010 (structure data deposition date)
AuthorsZhao, L. / Zhang, Y. / Dai, C. / Guzi, T. / Wiswell, D. / Seghezzi, W. / Parry, D. / Fischmann, T. / Siddiqui, M.A.
External linksBioorg. Med. Chem. Lett. / PubMed:21074424
MethodsX-ray diffraction
Resolution1.4 - 1.7 Å
Structure data

PDB-3pa3:
X-ray crystal structure of compound 70 bound to human CHK1 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-3pa4:
X-ray crystal structure of compound 2a bound to human CHK1 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-3pa5:
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-C70:
2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide

ChemComp-HOH:
WATER

ChemComp-C72:
2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-C73:
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / phosphatase / transferase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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