Crystal Structure of human FABP4 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)quinoline, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NN=NN1)c1ccccc1)Cl with IC50=0.0201184 microM

Crystal Structure of human FABP4 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)quinoline, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NN=NN1)c1ccccc1)Cl with IC50=0.0201184 microM Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline, DIMETHYL SULFOXIDE, ... Authors: Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.17 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4（human FABP4）与6-氯-4-苯基-2-哌啶-1-基-3-(1H-四唑-5-基)喹啉结合的晶体结构，该配体的SMILES表达式为c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NN=NN1)c1ccccc1)Cl，半最大抑制浓度（IC50）为0.0201184 μM。描述物包括：2-氨基-2-羟甲基-丙烷-1,3-二醇、6-氯-4-苯基-2-(哌啶-1-基)-3-(1H-四唑-5-基)喹啉、二甲基亚砜等。作者：Ehler, A、Benz, J、Obst, U、Kuhne, H、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。检测方法：X射线衍射（分辨率1.17 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，第81卷，2025年。