Crystal Structure of human FABP4 in complex with 3-[(2-phenylphenoxy)methyl]benzoic acid, i.e. SMILES c1cc(c(cc1)OCc1cccc(c1)C(=O)O)c1ccccc1 with IC50=0.915 microM

Crystal Structure of human FABP4 in complex with 3-[(2-phenylphenoxy)methyl]benzoic acid, i.e. SMILES c1cc(c(cc1)OCc1cccc(c1)C(=O)O)c1ccccc1 with IC50=0.915 microM Descriptor: 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid, Fatty acid-binding protein, adipocyte, ... Authors: Ehler, A, Benz, J, Obst, U, Gillespie, P, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.21 Å) Cite: A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands. Acta Crystallogr D Struct Biol, 81, 2025

人源脂肪酸结合蛋白4（human FABP4）与3-[(2-苯基苯氧基)甲基]苯甲酸结合的晶体结构，该配体的SMILES表达式为c1cc(c(cc1)OCc1cccc(c1)C(=O)O)c1ccccc1，其半数抑制浓度IC50=0.915微摩尔。配体描述：3-{[([1,1'-联苯]-2-基)氧基]甲基}苯甲酸、脂肪细胞型脂肪酸结合蛋白……作者：Ehler, A、Benz, J、Obst, U、Gillespie, P、Rudolph, M.G.。存储日期：2023-04-27；发布日期：2023-06-14；最后修改日期：2025-08-13。实验方法：X射线衍射（分辨率1.21埃）。引用文献：《脂肪酸结合蛋白结构的高分辨率数据集 第三部分：错误配体的意外高占比》，发表于《Acta Crystallogr D Struct Biol》2025年第81卷。