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TitleThe discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 3050-3056, Year 2011
Publish dateMar 7, 2011 (structure data deposition date)
AuthorsXiang, Y. / Hirth, B. / Asmussen, G. / Biemann, H.P. / Bishop, K.A. / Good, A. / Fitzgerald, M. / Gladysheva, T. / Jain, A. / Jancsics, K. ...Xiang, Y. / Hirth, B. / Asmussen, G. / Biemann, H.P. / Bishop, K.A. / Good, A. / Fitzgerald, M. / Gladysheva, T. / Jain, A. / Jancsics, K. / Liu, J. / Metz, M. / Papoulis, A. / Skerlj, R. / Stepp, J.D. / Wei, R.R.
External linksBioorg. Med. Chem. Lett. / PubMed:21507633
MethodsX-ray diffraction
Resolution1.7 - 2.6 Å
Structure data

PDB-3r00:
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3r01:
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3r02:
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3r04:
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-UNJ:
5-bromo-1-benzofuran-2-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-UNE:
5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid

ChemComp-UNM:
7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid

ChemComp-UNQ:
5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / Pim1 / inhibitor / kinae

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