4JNM

Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties

Summary for 4JNM

• Entry DOI: 10.2210/pdb4jnm/pdb
• Descriptor: Nicotinamide phosphoribosyltransferase, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, PHOSPHATE ION, ... (5 entities in total)
• Functional Keywords: transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm (By similarity): P43490
• Total number of polymer chains: 2
• Total formula weight: 115650.19

Authors

Gunzner-Toste, J.,Zhao, G.,Bauer, P.,Baumeister, T.,Buckmelter, A.J.,Caligiuri, M.,Clodfelter, K.H.,Fu, B.,Han, B.,Ho, Y.,Kley, N.,Liederer, B.,Lin, J.,Mukadam, S.,O'Brien, T.,Reynolds, D.J.,Sharma, G.,Skelton, N.,Smith, C.C.,Oh, A.,Wang, W.,Wang, Z.,Xiao, Y.,Yuen, P.,Zak, M.,Zhang, L.,Zheng, X.,Bair, K.W.,Dragovich, P.S. (deposition date: 2013-03-15, release date: 2013-05-29, Last modification date: 2024-02-28)

• Primary citation: Gunzner-Toste, J.,Zhao, G.,Bauer, P.,Baumeister, T.,Buckmelter, A.J.,Caligiuri, M.,Clodfelter, K.H.,Fu, B.,Han, B.,Ho, Y.C.,Kley, N.,Liang, X.,Liederer, B.M.,Lin, J.,Mukadam, S.,O'Brien, T.,Oh, A.,Reynolds, D.J.,Sharma, G.,Skelton, N.,Smith, C.C.,Sodhi, J.,Wang, W.,Wang, Z.,Xiao, Y.,Yuen, P.W.,Zak, M.,Zhang, L.,Zheng, X.,Bair, K.W.,Dragovich, P.S.; Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.; Bioorg.Med.Chem.Lett., 23:3531-3538, 2013; PubMed: 23668988; DOI: 10.1016/j.bmcl.2013.04.040

Experimental method

X-RAY DIFFRACTION (2.2 Å)