5UPF

Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53

Summary for 5UPF

• Entry DOI: 10.2210/pdb5upf/pdb
• Related: 5UPE
• Descriptor: Nicotinamide phosphoribosyltransferase, 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide (3 entities in total)
• Functional Keywords: nampt inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : P43490
• Total number of polymer chains: 2
• Total formula weight: 114030.76

Authors

Longenecker, K.L.,Raich, D.,Korepanova, A.V. (deposition date: 2017-02-02, release date: 2017-06-28, Last modification date: 2023-10-04)

• Primary citation: Curtin, M.L.,Heyman, H.R.,Clark, R.F.,Sorensen, B.K.,Doherty, G.A.,Hansen, T.M.,Frey, R.R.,Sarris, K.A.,Aguirre, A.L.,Shrestha, A.,Tu, N.,Woller, K.,Pliushchev, M.A.,Sweis, R.F.,Cheng, M.,Wilsbacher, J.L.,Kovar, P.J.,Guo, J.,Cheng, D.,Longenecker, K.L.,Raich, D.,Korepanova, A.V.,Soni, N.B.,Algire, M.A.,Richardson, P.L.,Marin, V.L.,Badagnani, I.,Vasudevan, A.,Buchanan, F.G.,Maag, D.,Chiang, G.G.,Tse, C.,Michaelides, M.R.; SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).; Bioorg. Med. Chem. Lett., 27:3317-3325, 2017; PubMed: 28610984; DOI: 10.1016/j.bmcl.2017.06.018

Experimental method

X-RAY DIFFRACTION (1.69 Å)