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: 30609350 DOI: 10.1021/acs.jmedchem.8b01473 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation