6NCJ
Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors
Summary for 6NCJ
Entry DOI | 10.2210/pdb6ncj/pdb |
Descriptor | Integrase, 1,2-ETHANEDIOL, (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ... (5 entities in total) |
Functional Keywords | integrase, catalytic, inhibitor, viral protein |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 1 |
Total formula weight | 20698.38 |
Authors | Nolte, R.T. (deposition date: 2018-12-11, release date: 2019-01-16, Last modification date: 2024-03-13) |
Primary citation | Peese, K.M.,Allard, C.W.,Connolly, T.,Johnson, B.L.,Li, C.,Patel, M.,Sorensen, M.E.,Walker, M.A.,Meanwell, N.A.,McAuliffe, B.,Minassian, B.,Krystal, M.,Parker, D.D.,Lewis, H.A.,Kish, K.,Zhang, P.,Nolte, R.T.,Simmermacher, J.,Jenkins, S.,Cianci, C.,Naidu, B.N. 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors. J. Med. Chem., 62:1348-1361, 2019 Cited by PubMed: 30609350DOI: 10.1021/acs.jmedchem.8b01473 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
Download full validation report