3P89

FXR bound to a quinolinecarboxylic acid

Summary for 3P89

• Entry DOI: 10.2210/pdb3p89/pdb
• Related: 3P88
• Descriptor: Farnesoid X receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, ... (5 entities in total)
• Functional Keywords: nuclear receptor fxr, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus : B6ZGS9 A8K1V4
• Total number of polymer chains: 2
• Total formula weight: 28900.84

Authors

Madauss, K.P.,Williams, S.P.,Deaton, D.N. (deposition date: 2010-10-13, release date: 2011-08-31, Last modification date: 2024-02-21)

Primary citation

Bass, J.Y.,Caravella, J.A.,Chen, L.,Creech, K.L.,Deaton, D.N.,Madauss, K.P.,Marr, H.B.,McFadyen, R.B.,Miller, A.B.,Mills, W.Y.,Navas, F.,Parks, D.J.,Smalley, T.L.,Spearing, P.K.,Todd, D.,Williams, S.P.,Wisely, G.B.
Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21:1206-1213, 2011

PubMed Abstract: To improve on the drug properties of GSK8062 1b, a series of heteroaryl bicyclic naphthalene replacements were prepared. The quinoline 1c was an equipotent FXR agonist with improved drug developability parameters relative to 1b. In addition, analog 1c lowered body weight gain and serum glucose in a DIO mouse model of diabetes.

PubMed: 21256005
DOI: 10.1016/j.bmcl.2010.12.089

Experimental method

X-RAY DIFFRACTION (2.3 Å)