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TitleDiscovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 337-343, Year 2014
Publish dateJul 23, 2013 (structure data deposition date)
AuthorsZheng, X. / Baumeister, T. / Buckmelter, A.J. / Caligiuri, M. / Clodfelter, K.H. / Han, B. / Ho, Y.C. / Kley, N. / Lin, J. / Reynolds, D.J. ...Zheng, X. / Baumeister, T. / Buckmelter, A.J. / Caligiuri, M. / Clodfelter, K.H. / Han, B. / Ho, Y.C. / Kley, N. / Lin, J. / Reynolds, D.J. / Sharma, G. / Smith, C.C. / Wang, Z. / Dragovich, P.S. / Oh, A. / Wang, W. / Zak, M. / Wang, Y. / Yuen, P.W. / Bair, K.W.
External linksBioorg. Med. Chem. Lett. / PubMed:24279990
MethodsX-ray diffraction
Resolution1.641 - 1.692 Å
Structure data

PDB-4lts:
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.692 Å

PDB-4lww:
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.641 Å

Chemicals

ChemComp-LTS:
2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-LWW:
N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Transferase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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