6VKE

Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein

Summary for 6VKE

• Entry DOI: 10.2210/pdb6vke/pdb
• Descriptor: Prefusion RSV F (DS-Cav1), 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile, ... (6 entities in total)
• Functional Keywords: inhibitor, complex, viral protein
• Biological source: Human respiratory syncytial virus; More
• Total number of polymer chains: 1
• Total formula weight: 64382.76

Authors

McLellan, J.S. (deposition date: 2020-01-20, release date: 2020-05-27, Last modification date: 2023-10-11)

• Primary citation: Vendeville, S.,Tahri, A.,Hu, L.,Demin, S.,Cooymans, L.,Vos, A.,Kwanten, L.,Van den Berg, J.,Battles, M.B.,McLellan, J.S.,Koul, A.,Raboisson, P.,Roymans, D.,Jonckers, T.H.M.; Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.; J.Med.Chem., 63:8046-8058, 2020; PubMed: 32407115; DOI: 10.1021/acs.jmedchem.0c00226

Experimental method

X-RAY DIFFRACTION (2.1 Å)