Ligand binding to FARNESOID-X-RECEPTOR

Ligand binding to FARNESOID-X-RECEPTOR Descriptor: 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 Authors: Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-05-31 Release date: 2017-07-05 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.85 Å) Cite: D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018配体结合至法尼类X受体（FARNESOID-X-RECEPTOR）的数据集描述项：5-溴-1-{[4-(1H-四唑-5-基)苯基]甲基}-1'-(噻吩-2-磺酰基)螺[吲哚-3,4'-哌啶]-2(1H)-酮、胆汁酸受体、共激活肽SRC-1 HD3 作者：Rudolph, M.G、Benz, J、Burger, D、Thoma, R、Ruf, A、Joseph, C、Kuhn, B、Shao, C、Yang, H、Burley, S.K. 提交日期：2017-05-31 发布日期：2017-07-05 最后修改日期：2024-05-22 实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.85 Å 引用文献：D3R大挑战2：蛋白质-配体构象、亲和力排序及相对结合自由能的盲预测。《计算机辅助分子设计杂志（J. Comput. Aided Mol. Des.）》，第32卷，2018年