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TitleMinimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 8345-8368, Year 2016
Publish dateJun 17, 2016 (structure data deposition date)
AuthorsZak, M. / Yuen, P.W. / Liu, X. / Patel, S. / Sampath, D. / Oeh, J. / Liederer, B.M. / Wang, W. / O'Brien, T. / Xiao, Y. ...Zak, M. / Yuen, P.W. / Liu, X. / Patel, S. / Sampath, D. / Oeh, J. / Liederer, B.M. / Wang, W. / O'Brien, T. / Xiao, Y. / Skelton, N. / Hua, R. / Sodhi, J. / Wang, Y. / Zhang, L. / Zhao, G. / Zheng, X. / Ho, Y.C. / Bair, K.W. / Dragovich, P.S.
External linksJ. Med. Chem. / PubMed:27541271
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-5kit:
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-6TA:
~{tert}-butyl (2~{S})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

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

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