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TitleFragment-based discovery of a potent NAMPT inhibitor.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 437-440, Year 2018
Publish dateJul 18, 2017 (structure data deposition date)
AuthorsKorepanova, A. / Longenecker, K.L. / Pratt, S.D. / Panchal, S.C. / Clark, R.F. / Lake, M. / Gopalakrishnan, S.M. / Raich, D. / Sun, C. / Petros, A.M.
External linksBioorg. Med. Chem. Lett. / PubMed:29287958
MethodsX-ray diffraction
Resolution1.99 - 2.05 Å
Structure data

PDB-5wi0:
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5wi1:
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-AQ1:
2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one

ChemComp-HOH:
WATER

ChemComp-AOY:
(3E)-3-[(phenylamino)methylidene]oxan-2-one

ChemComp-SO4:
SULFATE ION

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

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