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 Cited by PubMed: 19159286DOI: 10.1021/jm8014124 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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