Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM

Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM Descriptor: 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, CHLORIDE ION, Fatty acid-binding protein 5 Authors: Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (2 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

人类脂肪酸结合蛋白5（FABP5）与2-(吲哚-1-甲酰胺基)苯甲酸形成复合物的晶体结构，该配体的SMILES表达式为c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2，半最大抑制浓度（IC50）为18.1696微摩尔。描述符：2-[(2,3-二氢-1H-吲哚-1-羰基)氨基]苯甲酸、氯离子、脂肪酸结合蛋白5。作者：Ehler, A、Benz, J、Obst, U、Ning, R、Rudolph, M.G.。提交日期：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），分辨率为2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。