4WQ6

The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)

Summary for 4WQ6

• Entry DOI: 10.2210/pdb4wq6/pdb
• Descriptor: Nicotinamide phosphoribosyltransferase, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, PHOSPHATE ION, ... (5 entities in total)
• Functional Keywords: 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: 115950.66

Authors

Li, D.,Wang, W. (deposition date: 2014-10-21, release date: 2015-02-11, Last modification date: 2023-09-27)

• Primary citation: Zak, M.,Liederer, B.M.,Sampath, D.,Yuen, P.W.,Bair, K.W.,Baumeister, T.,Buckmelter, A.J.,Clodfelter, K.H.,Cheng, E.,Crocker, L.,Fu, B.,Han, B.,Li, G.,Ho, Y.C.,Lin, J.,Liu, X.,Ly, J.,O'Brien, T.,Reynolds, D.J.,Skelton, N.,Smith, C.C.,Tay, S.,Wang, W.,Wang, Z.,Xiao, Y.,Zhang, L.,Zhao, G.,Zheng, X.,Dragovich, P.S.; Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.; Bioorg.Med.Chem.Lett., 25:529-541, 2015; PubMed: 25556090; DOI: 10.1016/j.bmcl.2014.12.026

Experimental method

X-RAY DIFFRACTION (1.72 Å)