Crystallography Open Database
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Result: there are 271 entries in the selection
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Searching journal of publication like 'Journal of Medicinal Chemistry'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1564530 | CIF | C40 H59 N O5 | P 43 21 2 | 23.7717; 23.7717; 14.8492 90; 90; 90 | 8391.2 | Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice. Journal of medicinal chemistry, 2021, 64, 12181-12199 |
| 1564797 | CIF | C23 H32 O4 | P 1 21 1 | 7.6632; 12.1003; 21.8916 90; 94.348; 90 | 2024.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564798 | CIF | C23 H31 Cl O4 | P 1 21 1 | 6.7959; 36.5395; 8.7513 90; 98.87; 90 | 2147.12 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564799 | CIF | C23 H33 Cl O5 | P 32 2 1 | 11.4588; 11.4588; 28.4455 90; 90; 120 | 3234.61 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564800 | CIF | C23 H31 Cl O5 | P 1 | 15.1437; 17.4925; 19.3925 105.337; 92.858; 113.621 | 4467.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564801 | CIF | C23 H29 Cl O5 | P 1 21 1 | 24.8351; 7.171; 25.5947 90; 93.822; 90 | 4548.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564802 | CIF | C23 H29 Cl O5 | P 1 | 6.1316; 11.209; 16.0507 90.884; 100.853; 93.813 | 1080.58 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564803 | CIF | C23 H31 Cl O4 | P 1 21 1 | 7.1951; 40.1443; 15.3671 90; 96.963; 90 | 4405.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1565894 | CIF | C20 H19 N O3 | P 1 21/c 1 | 17.0295; 10.2484; 9.8976 90; 103.468; 90 | 1679.88 | Singh, Neelu; Gupta, Ajay; Prasad, Puja; Sah, Raj Kumar; Singh, Arvind; Kumar, Sunil; Singh, Shailja; Gupta, Shalini; Sasmal, Pijus K. Mitochondria-Targeted Photoactivatable Real-Time Monitoring of a Controlled Drug Delivery Platform. Journal of medicinal chemistry, 2021, 64, 17813-17823 |
| 1565895 | CIF | C15 H20 O4 | P 21 21 21 | 8.2975; 12.0102; 13.9497 90; 90; 90 | 1390.15 | Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer. Journal of medicinal chemistry, 2021, 64, 17304-17325 |
| 1566281 | CIF | C43 H62 F6 N4 O5.5 P | P -1 | 13.1015; 13.9905; 14.3129 103.697; 99.4485; 117.548 | 2142.83 | Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P. Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging. Journal of medicinal chemistry, 2022, 65, 811-823 |
| 1566544 | CIF | C28 H28 Br Cl Cu N6 O2 | P 1 21/c 1 | 16.1127; 8.9758; 19.2463 90; 103.825; 90 | 2702.85 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566545 | CIF | C28 H28 Cl Cu N6 O1.5 | P 1 21/c 1 | 15.0147; 34.2629; 10.2999 90; 107.565; 90 | 5051.7 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566546 | CIF | C32 H39 Cl3 Cu N8 O3 | P 1 | 7.2313; 9.2604; 14.1201 78.16; 77.214; 70.423 | 859.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566547 | CIF | C60 H63 Br2 Cl N14 Ni O4 | P -1 | 9.7632; 15.6735; 19.622 87.172; 75.925; 85.319 | 2901.4 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566548 | CIF | C33 H39 Cl Cu N8 O3 | C 1 2/c 1 | 37.667; 10.5159; 19.22 90; 118.948; 90 | 6661.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566549 | CIF | C26 H23 Br N6 O | P -1 | 12.22; 12.7328; 16.424 76.485; 82.598; 67.698 | 2296.6 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566550 | CIF | C12 H16 N2 O2 | P -1 | 7.7366; 7.9072; 10.7395 99.872; 102.594; 113.64 | 562.21 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566736 | CIF | C15 H14 O3 | P 21 21 21 | 5.5437; 8.4551; 52.42 90; 90; 90 | 2457.06 | Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor. Journal of medicinal chemistry, 2022, 65, 4832-4853 |
| 5000128 | CIF | C17 H19 Cl F3 N O | P c a b | 10.457; 10.387; 32.345 90; 90; 90 | 3513.21 | Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T. Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor Journal of Medicinal Chemistry, 1988, 31, 185-189 |
| 5000285 | CIF | C10 H15 Br2 Cl3 | P 21 21 21 | 6.115; 12.456; 19.188 90; 90; 90 | 1461.52 | Fuller, Richard W.; Cardellina, John H.; Kato, Yoko; Brinen, Linda S.; Clardy, Jon; Snader, Kenneth M.; Boyd, Michael R. A pentahalogenated monoterpene from the red alga Portieria hornemannii produces a novel cytotoxicity profile against a diverse panel of human tumor cell lines Journal of Medicinal Chemistry, 1992, 35, 3007-3011 |
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