3OKI
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Summary for 3OKI
| Entry DOI | 10.2210/pdb3oki/pdb |
| Related | 3OKH 3OLF 3OMK 3OMM 3OOF 3OOK |
| Descriptor | Bile acid receptor, peptide of Nuclear receptor coactivator 1, (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, ... (4 entities in total) |
| Functional Keywords | nuclear receptor, cholesterol, bile acid, dna-binding, nucleus, receptor, transcription, ligand binding domain transcription regulation, coactivator, fxr alternative splicing, hormone receptor |
| Biological source | Homo sapiens (human) More |
| Cellular location | Nucleus (Probable): Q96RI1 Nucleus (By similarity): Q15788 |
| Total number of polymer chains | 4 |
| Total formula weight | 58680.46 |
| Authors | Rudolph, M.G. (deposition date: 2010-08-25, release date: 2010-12-29, Last modification date: 2024-04-03) |
| Primary citation | Richter, H.G.F.,Benson, G.M.,Blum, D.,Chaput, E.,Feng, S.,Gardes, C.,Grether, U.,Hartman, P.,Kuhn, B.,Martin, R.E.,Plancher, J.-M.,Rudolph, M.G.,Schuler, F.,Taylor, S.,Bleicher, K.H. Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes Bioorg.Med.Chem.Lett., 21:191-194, 2010 Cited by PubMed Abstract: Herein we describe the synthesis and structure activity relationship of a new class of FXR agonists identified from a high-throughput screening campaign. Further optimization of the original hits led to molecules that were highly active in an LDL-receptor KO model for dyslipidemia. The most promising candidate is discussed in more detail. PubMed: 21134747DOI: 10.1016/j.bmcl.2010.11.039 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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