Crystal Structure of human FABP4 in complex with rac-(1R,2S,4R)-2-[(3-chlorobenzoyl)amino]-4-phenoxycyclohexane-1-carboxylic acid, i.e. SMILES C1[C@H](C[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(ccc1)Cl)Oc1ccccc1 with IC50=4.26773 microM

Crystal Structure of human FABP4 in complex with rac-(1R,2S,4R)-2-[(3-chlorobenzoyl)amino]-4-phenoxycyclohexane-1-carboxylic acid, i.e. SMILES C1[C@H](C[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(ccc1)Cl)Oc1ccccc1 with IC50=4.26773 microM Descriptor: (1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... 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 (1.05 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,4R)-2-[(3-氯苯甲酰基)氨基]-4-苯氧基环己烷-1-羧酸结合的晶体结构，该化合物的SMILES表达式为C1[C@H](C[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(ccc1)Cl)Oc1ccccc1，其IC50值为4.26773 微摩尔。描述符包括：(1R,2S,4R)-2-(3-氯苯甲酰胺基)-4-苯氧基环己烷-1-羧酸、二甲基亚砜（DIMETHYL SULFOXIDE）、甲酸（FORMIC ACID）等。作者：Ehler, A.、Benz, J.、Obst, U.、Buettelmann, B.、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（分辨率1.05 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》，刊载于《Acta Crystallogr D Struct Biol》2025年第81卷。