Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl with IC50=3.73482 microM

Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl with IC50=3.73482 microM Descriptor: (1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... Authors: Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.02 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）与外消旋-(1R,2S)-2-[(3,4-二氯苯氧基)甲基]环己烷-1-羧酸（即SMILES表达式为C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl，半数抑制浓度(IC50)=3.73482 微摩尔(μM)）的晶体结构。相关描述项：(1R,2S)-2-[(3,4-二氯苯氧基)甲基]环己烷-1-羧酸、甲酸(FORMIC ACID)、脂肪酸结合蛋白(Fatty acid-binding protein)等。作者：Ehler, A.、Benz, J.、Obst, U.、Buettelmann, B.、Rudolph, M.G.。数据存放日期：2023-04-27；数据发布日期：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1.02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。