The 2-oxoglutarate (2OG)-dependent oxygenase JMJD6 is emerging as a potential anticancer target, but its inhibitors have not been reported so far. In this study, we reported an in silico protocol to discover JMJD6 inhibitors targeting the druggable 2OG-binding site. Following this protocol, one compound, which we named as WL12, was found to be able to inhibit JMJD6 enzymatic activity and JMJD6-dependent cell proliferation. To our best knowledge, this is the first case in drug discovery targeting JMJD6.

中文翻译：

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在计算机上发现用于癌症治疗的JMJD6抑制剂。

依赖2-氧戊二酸酯（2OG）的加氧酶JMJD6成为潜在的抗癌靶标，但迄今为止尚未见其抑制剂的报道。在这项研究中，我们报告了一种计算机模拟实验方案，以发现靶向可药物化2OG结合位点的JMJD6抑制剂。遵循该协议，发现一种我们称为WL12的化合物能够抑制JMJD6酶活性和JMJD6依赖性细胞增殖。据我们所知，这是针对JMJD6的药物发现中的第一个案例。