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TitleFragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 954-962, Year 2014
Publish dateOct 20, 2013 (structure data deposition date)
AuthorsDragovich, P.S. / Zhao, G. / Baumeister, T. / Bravo, B. / Giannetti, A.M. / Ho, Y.C. / Hua, R. / Li, G. / Liang, X. / Ma, X. ...Dragovich, P.S. / Zhao, G. / Baumeister, T. / Bravo, B. / Giannetti, A.M. / Ho, Y.C. / Hua, R. / Li, G. / Liang, X. / Ma, X. / O'Brien, T. / Oh, A. / Skelton, N.J. / Wang, C. / Wang, W. / Wang, Y. / Xiao, Y. / Yuen, P.W. / Zak, M. / Zhao, Q. / Zheng, X.
External linksBioorg. Med. Chem. Lett. / PubMed:24433859
MethodsX-ray diffraction
Resolution1.701 - 2.859 Å
Structure data

PDB-4n9b:
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Method: X-RAY DIFFRACTION / Resolution: 2.859 Å

PDB-4n9c:
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Method: X-RAY DIFFRACTION / Resolution: 1.751 Å

PDB-4n9d:
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Method: X-RAY DIFFRACTION / Resolution: 1.701 Å

PDB-4n9e:
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-2HH:
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-2ZM:
5-nitro-1H-benzimidazole

ChemComp-2HJ:
4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-2HL:
1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide

ChemComp-DTT:
2,3-DIHYDROXY-1,4-DITHIOBUTANE

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / transferase-transferase inhibitor complex

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