Crystal Structure of human FABP4 in complex with 4-(4-chlorophenoxy)benzenesulfinic acid:sodium hydride, i.e. SMILES c1(Oc2ccc(cc2)Cl)ccc(cc1)[S@@](=O)O with IC50=7.4 microM

Crystal Structure of human FABP4 in complex with 4-(4-chlorophenoxy)benzenesulfinic acid:sodium hydride, i.e. SMILES c1(Oc2ccc(cc2)Cl)ccc(cc1)[S@@](=O)O with IC50=7.4 microM Descriptor: 1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene, FORMIC ACID, Fatty acid-binding protein, ... Authors: Ehler, A, Benz, J, Obst, U, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.1 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FABP4（fatty acid-binding protein 4）与4-(4-氯苯氧基)苯亚磺酸钠结合的晶体结构，即该配体的SMILES表达式为c1(Oc2ccc(cc2)Cl)ccc(cc1)[S@@](=O)O，半最大抑制浓度IC50=7.4 μM。描述符：1-[双(羟基)-λ³-硫烷基]-4-(4-氯苯氧基)苯、甲酸、脂肪酸结合蛋白……。作者：Ehler, A、Benz, J、Obst, U、Rudolph, M.G.。提交日期：2023-04-27，发布日期：2023-06-14，末次修改日期：2025-08-13。实验方法：X射线衍射（分辨率1.1 Å）。引用：《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》，第81卷，2025年。