Crystal Structure of human FABP4 in complex with 2-[3-(4-chloro-2-phenoxyphenyl)phenyl]acetic acid, i.e. SMILES c1c(cc(cc1)c1c(cc(cc1)Cl)Oc1ccccc1)CC(=O)O with IC50=0.095 microM

Crystal Structure of human FABP4 in complex with 2-[3-(4-chloro-2-phenoxyphenyl)phenyl]acetic acid, i.e. SMILES c1c(cc(cc1)c1c(cc(cc1)Cl)Oc1ccccc1)CC(=O)O with IC50=0.095 microM Descriptor: Fatty acid-binding protein, adipocyte, SULFATE ION, ... Authors: Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.08 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

人脂肪细胞型脂肪酸结合蛋白4（human FABP4）与2-[3-(4-氯-2-苯氧基苯基)苯基]乙酸结合的晶体结构，该配体的简化分子线性输入规范（SMILES）表达式为c1c(cc(cc1)c1c(cc(cc1)Cl)Oc1ccccc1)CC(=O)O，其半数抑制浓度（IC50）为0.095微摩尔（μM）。描述符：脂肪细胞型脂肪酸结合蛋白、硫酸根离子……作者：Ehler, A、Benz, J、Obst, U、Obst-Sander, U、Rudolph, M.G.；沉积日期：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（X-RAY DIFFRACTION），分辨率1.08埃（Å）；引用文献：《脂肪酸结合蛋白结构的高分辨率数据集。Ⅲ. 错误配体的意外高发生率》，发表于Acta Crystallogr D Struct Biol 2025年第81卷。