Crystallography Open Database
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Searching journal of publication like 'Journal of medicinal chemistry' volume of publication is 61
| COD ID: 1553253 | |
| CIF file | Formula: - C19 H23 Cl F N O4 S - Comments: Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S. Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain. Journal of medicinal chemistry 61(11) (2018) 4810-4831 Space group: P 1 21/c 1 Cell volume: 1889.4 Cell parameters: 22.01; 9.223; 9.454; 90; 100.101; 90; |
| COD ID: 1553254 | |
| CIF file | Formula: - C27 H28 Br N5 O3 - Comments: Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry 61(10) (2018) 4608-4627 Space group: P 1 21 1 Cell volume: 2588.6 Cell parameters: 13.774; 18.775; 10.658; 90; 110.084; 90; |
| COD ID: 1553255 | |
| CIF file | Formula: - C12 H11 N O3 - Comments: Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry 61(10) (2018) 4608-4627 Space group: P 21 21 21 Cell volume: 1065.56 Cell parameters: 6.917; 8.4769; 18.1729; 90; 90; 90; |
| COD ID: 1553256 | |
| CIF file | Formula: - C26 H20 F N5 O2 - Comments: Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. Journal of medicinal chemistry 61(14) (2018) 6110-6120 Space group: P -1 Cell volume: 1072.75 Cell parameters: 7.7758; 10.3458; 14.6505; 71.053; 75.006; 80.624; |
| COD ID: 1553257 | |
| CIF file | Formula: - C H O - Comments: Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry 61(13) (2018) 5664-5678 Space group: P 21 21 21 Cell volume: 2898.8 Cell parameters: 6.9288; 7.9172; 52.844; 90; 90; 90; |
| COD ID: 1553258 | |
| CIF file | Formula: - C16 H20 O5 - Comments: Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry 61(13) (2018) 5664-5678 Space group: P 43 21 2 Cell volume: 2952.2 Cell parameters: 8.0784; 8.0784; 45.237; 90; 90; 90; |
| COD ID: 1553259 | |
| CIF file | Formula: - C16 H20 O5 - Comments: Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry 61(13) (2018) 5664-5678 Space group: P 1 21 1 Cell volume: 1416.5 Cell parameters: 7.7904; 11.4929; 16.2869; 90; 103.739; 90; |
| COD ID: 1553260 | |
| CIF file | Formula: - C21 H25 F2 N3 O2 - Comments: Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry 61(13) (2018) 5664-5678 Space group: P 21 21 21 Cell volume: 1500.7 Cell parameters: 7.5165; 8.0959; 24.661; 90; 90; 90; |
| COD ID: 1553261 | |
| CIF file | Formula: - C27 H32 N2 O4 - Comments: Zhang, Xiao-Ru; Wang, Hao-Wen; Tang, Wen-Lin; Zhang, Yu; Yang, Hui; Hu, De-Xuan; Ravji, Azhar; Marchand, Christophe; Kiselev, Evgeny; Ofori-Atta, Kwabena; Agama, Keli; Pommier, Yves; An, Lin-Kun Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents. Journal of medicinal chemistry 61(22) (2018) 9908-9930 Space group: P 1 21/c 1 Cell volume: 2259.82 Cell parameters: 9.41991; 10.1144; 23.7285; 90; 91.6653; 90; |
| COD ID: 1553262 | |
| CIF file | Formula: - C29.2 H31.8 Cl Ir N5 O0.2 - Comments: Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry 61(16) (2018) 7330-7344 Space group: P -1 Cell volume: 2715.65 Cell parameters: 9.804; 15.8991; 18.4457; 82.7271; 86.7456; 72.239; |
| COD ID: 1553263 | |
| CIF file | Formula: - C18.75 H26 Cl Ir N5 O0.75 - Comments: Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry 61(16) (2018) 7330-7344 Space group: P b c a Cell volume: 3920.67 Cell parameters: 11.78544; 14.43434; 23.04719; 90; 90; 90; |
| COD ID: 1553264 | |
| CIF file | Formula: - C26 H23 N3 O3 - Comments: Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry 61(23) (2018) 10488-10501 Space group: P -1 Cell volume: 1065.9 Cell parameters: 7.738; 10.534; 14.044; 70.163; 86.367; 81.901; |
| COD ID: 1553265 | |
| CIF file | Formula: - C12 H11.556 N0.889 O0.889 - Comments: Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry 61(23) (2018) 10488-10501 Space group: P 1 21/c 1 Cell volume: 2140.64 Cell parameters: 12.27; 21.5852; 8.2015; 90; 99.774; 90; |
| COD ID: 1553266 | |
| CIF file | Formula: - C26 H24 N2 O2 - Comments: Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry 61(23) (2018) 10488-10501 Space group: P 1 21/c 1 Cell volume: 1992.6 Cell parameters: 10.2122; 16.083; 12.5447; 90; 104.737; 90; |
| COD ID: 1553278 | |
| CIF file | Formula: - C9 H7 Cl N6 - Comments: Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry 61(20) (2018) 9347-9359 Space group: P 21 21 21 Cell volume: 1060.2 Cell parameters: 5.436; 9.003; 21.664; 90; 90; 90; |
| COD ID: 1553279 | |
| CIF file | Formula: - C9 H7 Cl N4 - Comments: Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry 61(20) (2018) 9347-9359 Space group: P 1 21/n 1 Cell volume: 887.07 Cell parameters: 8.2465; 6.6263; 16.392; 90; 97.969; 90; |
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