3FLI

Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)

Summary for 3FLI

• Entry DOI: 10.2210/pdb3fli/pdb
• Descriptor: Bile acid receptor, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (3 entities in total)
• Functional Keywords: fxr, bar, nr1h4, bile acid receptor, nuclear receptor, ligand-binding domain, alpha-helical sandwich, transcriptional regulator, dna-binding, metal-binding, nucleus, repressor, transcription, activator, alternative splicing, receptor, transcription regulation, zinc, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (Probable): Q96RI1
• Total number of polymer chains: 1
• Total formula weight: 27385.38

Authors

Foster, P.G.,Stout, T.J. (deposition date: 2008-12-18, release date: 2009-12-22, Last modification date: 2024-02-21)

• Primary citation: Flatt, B.,Martin, R.,Wang, T.L.,Mahaney, P.,Murphy, B.,Gu, X.H.,Foster, P.,Li, J.,Pircher, P.,Petrowski, M.,Schulman, I.,Westin, S.,Wrobel, J.,Yan, G.,Bischoff, E.,Daige, C.,Mohan, R.; Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).; J.Med.Chem., 52:904-907, 2009; PubMed: 19159286; DOI: 10.1021/jm8014124

Experimental method

X-RAY DIFFRACTION (2 Å)