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TitleStructure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 4921-4937, Year 2013
Publish dateMar 21, 2013 (structure data deposition date)
AuthorsZheng, X. / Bauer, P. / Baumeister, T. / Buckmelter, A.J. / Caligiuri, M. / Clodfelter, K.H. / Han, B. / Ho, Y.C. / Kley, N. / Lin, J. ...Zheng, X. / Bauer, P. / 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. / Gunzner-Toste, J. / Zhao, G. / Yuen, P.W. / Bair, K.W.
External linksJ. Med. Chem. / PubMed:23617784
MethodsX-ray diffraction
Resolution1.6 - 1.906 Å
Structure data

PDB-4jr5:
Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.906 Å

PDB-4kfn:
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4kfo:
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-1LS:
1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-1QR:
N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

ChemComp-1QS:
N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / Transferase-Transferase inhibitor complex

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