Crystallography Open Database

Result : There are 140 entries in the selection

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Searching journal of publication like 'RSC Medicinal Chemistry'

COD ID: 7240541
CIF file Formula: - C14 H17 Cl N4 O3 -
Comments: Samunuri, Ramakrishnamraju; Toyama, Masaaki; Pallaka, Renuka Sivasankar; Neeladri, Seshubabu; Jha, Ashok Kumar; Baba, Masanori; Bal, Chandralata Synthesis and anti-HBV activity of carbocyclic nucleoside hybrids with salient features of entecavir and aristeromycin RSC Medicinal Chemistry (2020)
Space group: P 1 21 1
Cell volume: 765.17
Cell parameters: 8.6168; 6.7974; 13.2395; 90; 99.344; 90;  

COD ID: 7240592
CIF file Formula: - C13 H16 N4 O -
Comments: Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 1204.69
Cell parameters: 8.164; 8.5511; 19.877; 93.396; 99.154; 117.195;  

COD ID: 7240593
CIF file Formula: - C14 H18 N4 O -
Comments: Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation RSC Medicinal Chemistry (2020)
Space group: P b c n
Cell volume: 2600.58
Cell parameters: 18.8002; 9.6241; 14.373; 90; 90; 90;  

COD ID: 7240594
CIF file Formula: - C10 H15 Cl N4 O3 -
Comments: Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation RSC Medicinal Chemistry (2020)
Space group: P 1 21 1
Cell volume: 1239.98
Cell parameters: 8.66205; 14.39226; 9.94738; 90; 90.8062; 90;  

COD ID: 7240849
CIF file Formula: - C19 H13 N O2 -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P 1 21/c 1
Cell volume: 1451
Cell parameters: 15.2439; 11.2793; 8.4391; 90; 90.062; 90;  

COD ID: 7240850
CIF file Formula: - C19 H12 Br N O2 -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P 1 21/c 1
Cell volume: 1563.1
Cell parameters: 16.8522; 11.2852; 8.2232; 90; 91.868; 90;  

COD ID: 7240851
CIF file Formula: - C19 H12 I N O2 -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P 1 21/c 1
Cell volume: 1623.11
Cell parameters: 17.1059; 11.3027; 8.3987; 90; 91.703; 90;  

COD ID: 7240852
CIF file Formula: - C21 H15 N O3 -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P 21 21 21
Cell volume: 1610.8
Cell parameters: 4.1895; 11.6796; 32.919; 90; 90; 90;  

COD ID: 7240853
CIF file Formula: - C19 H12 F N O2 -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P 1 21/n 1
Cell volume: 1517.7
Cell parameters: 12.4338; 7.7886; 15.693; 90; 92.992; 90;  

COD ID: 7240854
CIF file Formula: - C17 H12 O3 S -
Comments: Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 687.02
Cell parameters: 6.9084; 9.133; 10.977; 87.642; 83.261; 88.355;  

COD ID: 7240855
CIF file Formula: - C41 H23 F12 Mn N4 O2 -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 3462.9
Cell parameters: 7.5565; 17.8342; 26.0523; 95.305; 90.3264; 97.8043;  

COD ID: 7240856
CIF file Formula: - C41 H24 F14 N4 O2 -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 3537.7
Cell parameters: 7.609; 18.3265; 25.6198; 94.1124; 90.7528; 96.7722;  

COD ID: 7240857
CIF file Formula: - C43 H30 F12 N6 O -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: P 1 21/n 1
Cell volume: 3772
Cell parameters: 20.6155; 7.3748; 24.8188; 90; 91.5372; 90;  

COD ID: 7240858
CIF file Formula: - C39 H21 F13 N4 O2 -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: P 1 21/c 1
Cell volume: 3388.3
Cell parameters: 15.9471; 7.3379; 29.92; 90; 104.587; 90;  

COD ID: 7240859
CIF file Formula: - C38 H24 F9 N5 O2 -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 3232.17
Cell parameters: 7.3448; 15.9784; 28.5025; 104.448; 91.342; 93.085;  

COD ID: 7240860
CIF file Formula: - C41 H25 F12 N5 O -
Comments: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection RSC Medicinal Chemistry (2020)
Space group: C 1 2/c 1
Cell volume: 6990.9
Cell parameters: 36.02; 7.848; 27.7092; 90; 116.811; 90;  

COD ID: 7240889
CIF file Formula: - C27 H30 F9 N3 O5 -
Comments: Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 1396.21
Cell parameters: 8.23301; 13.02347; 13.57687; 98.1817; 92.5946; 103.539;  

COD ID: 7240890
CIF file Formula: - C22 H35.31 F3 N3 O5.65 -
Comments: Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor RSC Medicinal Chemistry (2020)
Space group: I 1 2/a 1
Cell volume: 4770.74
Cell parameters: 17.4137; 8.1451; 33.6364; 90; 90.413; 90;  

COD ID: 7240891
CIF file Formula: - C22 H29 N3 -
Comments: Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor RSC Medicinal Chemistry (2020)
Space group: P -1
Cell volume: 954.71
Cell parameters: 7.2232; 8.9059; 15.2815; 96.464; 95.779; 99.987;  

COD ID: 7240892
CIF file Formula: - C29 H39 F6 N3 O5 -
Comments: Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor RSC Medicinal Chemistry (2020)
Space group: P 1 21/n 1
Cell volume: 3134.66
Cell parameters: 15.6425; 12.7231; 16.3931; 90; 106.097; 90;  

COD ID: 7240893
CIF file Formula: - C28 H34 F6 N2 O6 -
Comments: Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor RSC Medicinal Chemistry (2020)
Space group: P 1 21/c 1
Cell volume: 2817.21
Cell parameters: 12.1802; 16.4503; 14.0829; 90; 93.256; 90;  

COD ID: 7242697
CIF file Formula: - C8 H7 N O6 -
Comments: Gill, Daniel M.; R. Povinelli, Ana Paula; Zazeri, Gabriel; Shamir, Sabrina A.; Mahmoud, Ayman M.; Wilkinson, Fiona L.; Alexander, M. Yvonne; L. Cornelio, Marinonio; Jones, Alan M. The modulatory role of sulfated and non-sulfated small molecule heparan sulfate-glycomimetics in endothelial dysfunction: absolute structural clarification, molecular docking and simulated dynamics, SAR analyses and ADMET studies RSC Medicinal Chemistry (2021)
Space group: P 1 21/c 1
Cell volume: 851.32
Cell parameters: 8.9555; 10.1597; 9.9607; 90; 110.056; 90;  

COD ID: 7242872
CIF file Formula: - C28 H31 N4 O S -
Comments: Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry (2021)
Space group: P 1 21/n 1
Cell volume: 2420.4
Cell parameters: 13.815; 10.555; 17.808; 90; 111.233; 90;  

COD ID: 7242873
CIF file Formula: - C31 H37 N4 O2 S -
Comments: Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry (2021)
Space group: P -1
Cell volume: 2804
Cell parameters: 10.221; 13.97; 21.807; 79.88; 76.458; 68.561;  

COD ID: 7243432
CIF file Formula: - C25 H23 N3 O3 Se -
Comments: Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry (2021)
Space group: P -1
Cell volume: 1272.9
Cell parameters: 7.573; 11.91; 15.396; 69.978; 81.094; 78.524;  

COD ID: 7243433
CIF file Formula: - C25 H23 N3 O3 Se -
Comments: Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry (2021)
Space group: P -1
Cell volume: 1120.1
Cell parameters: 9.364; 10.472; 12.433; 72.327; 75.582; 80.655;  

COD ID: 7243434
CIF file Formula: - C16 H15 N3 O3 -
Comments: Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry (2021)
Space group: P -1
Cell volume: 730.2
Cell parameters: 7.89; 9.75; 9.847; 96.739; 103.567; 91.493;  

COD ID: 7243743
CIF file Formula: - C15 H14 Fe O7 -
Comments: Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates RSC Medicinal Chemistry (2021)
Space group: P 1 21 1
Cell volume: 788.45
Cell parameters: 7.1067; 12.2043; 9.3734; 90; 104.11; 90;  

COD ID: 7243744
CIF file Formula: - C15 H14 Fe O7 -
Comments: Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates RSC Medicinal Chemistry (2021)
Space group: P b c n
Cell volume: 3117.67
Cell parameters: 11.3484; 7.4781; 36.737; 90; 90; 90;  

COD ID: 7244429
CIF file Formula: - C19 H19 Cl2 N3 O5 S -
Comments: Yang, Dongyan; Qi, Xin; Zhou, Xinhua; Li, Zhengming; Zhou, Hongjun; Fan, Zhijin Synthesis of potent antifungal 3,4-dichloroisothiazole-based strobilurins with both direct fungicidal activity and systemic acquired resistance RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 1071.4
Cell parameters: 7.9695; 8.2413; 16.8; 83.69; 88.28; 77.67;  

COD ID: 7244430
CIF file Formula: - C19 H19 Cl2 N3 O5 S -
Comments: Yang, Dongyan; Qi, Xin; Zhou, Xinhua; Li, Zhengming; Zhou, Hongjun; Fan, Zhijin Synthesis of potent antifungal 3,4-dichloroisothiazole-based strobilurins with both direct fungicidal activity and systemic acquired resistance RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 1044.5
Cell parameters: 8.6714; 10.866; 11.901; 85.84; 79.04; 71.6;  

COD ID: 7244893
CIF file Formula: - C17 H14 Br F2 N3 O3 S -
Comments: Miller, Daniel; Voell, Sabine Anna; Sosič, Izidor; Proj, Matic; Rossanese, Olivia; Schnakenburg, Gregor; Gütschow, Michael; Collins, Ian; Steinebach, Christian Encoding BRAF Inhibitor Functions in Protein Degraders RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 907.47
Cell parameters: 6.4327; 7.6898; 18.8782; 90.654; 91.728; 103.495;  

COD ID: 7244894
CIF file Formula: - C10 H20 F3 N O2 S -
Comments: Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J. Identification of ligand linkage vectors for the development of p300/CBP degraders RSC Medicinal Chemistry (2022)
Space group: P 21 21 21
Cell volume: 1418.25
Cell parameters: 6.028; 12.5634; 18.7272; 90; 90; 90;  

COD ID: 7244895
CIF file Formula: - C22 H16 Br2 N2 O6 -
Comments: Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J. Identification of ligand linkage vectors for the development of p300/CBP degraders RSC Medicinal Chemistry (2022)
Space group: P 21 21 21
Cell volume: 2167.46
Cell parameters: 8.1112; 8.1755; 32.6852; 90; 90; 90;  

COD ID: 7244896
CIF file Formula: - C11 H8 Br N O3 -
Comments: Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J. Identification of ligand linkage vectors for the development of p300/CBP degraders RSC Medicinal Chemistry (2022)
Space group: P 21 21 21
Cell volume: 2168.04
Cell parameters: 8.1072; 8.181; 32.6881; 90; 90; 90;  

COD ID: 7245076
CIF file Formula: - C25 H28 Cl N3 O -
Comments: Ma, Ling; Chen, Xiaofei; Zhu, Siyu; Chen, Wei; Ma, Qin; Fan, Wenxi; Zhang, Jie; Guo, Liang New β-carboline containing imidazolium derivatives as potential VEGFR2 inhibitors: synthesis, X-ray structure, anti-proliferative evaluations, and molecular modeling RSC Medicinal Chemistry (2022)
Space group: P n a 21
Cell volume: 2212.6
Cell parameters: 18.347; 16.232; 7.4296; 90; 90; 90;  

COD ID: 7245135
CIF file Formula: - C23 H16 Co2 O9 -
Comments: Abodo Onambele, Liliane; Hoffmann, Natalie; Kater, Lisa; Hemmersbach, Lars; Neudörfl, Jörg-Martin; Sitnikov, Nikolay; Kater, Benjamin; Frias, Corazon; Schmalz, Hans Günther; Prokop, Aram An organometallic analogue of combretastatin A-4 and its apoptosis-inducing effects on lymphoma, leukemia and other tumor cells in vitro RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 1180
Cell parameters: 8.356; 11.05; 13.47; 85.039; 72.36; 86.48;  

COD ID: 7245550
CIF file Formula: - C37 H33 B F2 N2 O4 -
Comments: Bera, Arpan; Gautam, Srishti; Sahoo, Somarupa; Pal, Apurba Kumar; Kondaiah, Paturu; Chakravarty, Akhil R. Red light active Pt(iv)–BODIPY prodrug as a mitochondria and endoplasmic reticulum targeted chemo-PDT agent RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 1498.4
Cell parameters: 8.0359; 10.4033; 19.0153; 96.528; 98.497; 105.124;  

COD ID: 7245848
CIF file Formula: - C18.25 H14.5 Cl0.5 N4 -
Comments: Hou, Zhilin; Lockwood, Lizbeth; Zhang, Di; Occhiuto, Christopher J.; Mo, Linqing; Aldrich, Kelly E.; Stoub, Hayden E.; Gallo, Kathleen A.; Liby, Karen T.; Odom, Aaron L. Exploring structural effects in a new class of NRF2 inhibitors RSC Medicinal Chemistry (2022)
Space group: P -1
Cell volume: 1453.88
Cell parameters: 9.0603; 12.4451; 14.3291; 67.463; 77.461; 81.987;  

COD ID: 7245919
CIF file Formula: - C7 H7 N O2 -
Comments: Mader, Lavleen; Watt, Sarah K.I.; Iyer, Harish R.; Nguyen, Linh; Kaur, Harpreet; Keillor, Jeffrey W. The War on hTG2: Warhead Optimization in Small Molecule Human Tissue Transglutaminase Inhibitors RSC Medicinal Chemistry (2022)
Space group: P 1 21/c 1
Cell volume: 708.8
Cell parameters: 7.29; 12.586; 7.891; 90; 101.778; 90;  

COD ID: 7246069
CIF file Formula: - C12 H10 O8 -
Comments: Liu, Xueyan; Yu, Chuanyu; Su, Biling; Zha, Daijun Synthesis and properties of the kojic acid dimer and its potential for the treatment of Alzheimer's disease RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 557.23
Cell parameters: 3.82; 17.5109; 8.4469; 90; 99.527; 90;  

COD ID: 7246070
CIF file Formula: - C17 H18 N2 O2 -
Comments: SAKTHIKUMAR, KARUNGANATHAN; Kabuyaya Isamura, Bienfait; Maçedo Krause, Rui Werner Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bio-active Mn(II), Co(II) and Ni(II) complexes - A combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CLpro RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 1386.65
Cell parameters: 14.8678; 7.571; 12.338; 90; 93.197; 90;  

COD ID: 7246288
CIF file Formula: - C17 H14 Cl N5 O S -
Comments: Sindhu, Jayant; Chahal, Sandhya; Punia, Jyoti; Rani, Payal; Singh, Rajvir; ., Mayank; Kumar, Parvin; Kataria, Ramesh; Joshi, Gaurav Development of thiazole appended novel hydrazones as a new class of α-amylase inhibitors with anticancer assets: An in silico and in vitro approach RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 1715.69
Cell parameters: 11.5221; 15.2245; 10.1523; 90; 105.553; 90;  

COD ID: 7246289
CIF file Formula: - C68 H62 F24 N10 P4 -
Comments: Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1874.51
Cell parameters: 10.1707; 11.4654; 17.4938; 99.51; 94.557; 109.661;  

COD ID: 7246290
CIF file Formula: - C56 H44 F18.5 N4 P4 -
Comments: Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 3529
Cell parameters: 13.051; 17.961; 16.08; 90; 110.553; 90;  

COD ID: 7246291
CIF file Formula: - C61 H77 Cl4 N5 O13 -
Comments: Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 3273.4
Cell parameters: 10.8172; 17.964; 18.8642; 69.309; 85.526; 72.745;  

COD ID: 7246638
CIF file Formula: - C17 H18 Cl F3 N6 O2 -
Comments: Willems, Henriëtte M. G.; Edwards, Simon; Boffey, Helen K.; Chawner, Stephen J.; Green, Christopher; Romero, Tamara; Winpenny, David; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P. Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 1871.74
Cell parameters: 6.6397; 10.0511; 28.1099; 90; 93.84; 90;  

COD ID: 7246639
CIF file Formula: - C19 H15 Cl2 N5 O -
Comments: Willems, Henriëtte M. G.; Edwards, Simon; Boffey, Helen K.; Chawner, Stephen J.; Green, Christopher; Romero, Tamara; Winpenny, David; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P. Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 1786.84
Cell parameters: 11.3629; 7.1919; 22.2901; 90; 101.206; 90;  

COD ID: 7246807
CIF file Formula: - C15 H14 N4 O4 -
Comments: Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1448.9
Cell parameters: 10.1696; 10.2024; 14.523; 78.333; 79.157; 86.414;  

COD ID: 7246808
CIF file Formula: - C14 H12 N4 O3 S -
Comments: Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 1373.27
Cell parameters: 9.0301; 13.7515; 11.0994; 90; 94.892; 90;  

COD ID: 7246943
CIF file Formula: - C11 H13 N O3 -
Comments: Sood, Ankur; Kesavan, Venkitasamy Synthesis and antibacterial activity of 2-benzylidene-3-oxobutanamide derivatives against resistant pathogens RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 1126.05
Cell parameters: 11.111; 7.3567; 13.9127; 90; 98.039; 90;  

COD ID: 7247098
CIF file Formula: - C27 H22 N2 O10 S2 -
Comments: Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 3384.2
Cell parameters: 13.0431; 15.4223; 17.5012; 76.057; 83.296; 84.321;  

COD ID: 7247099
CIF file Formula: - C35 H42 N2 O12 S2 -
Comments: Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds RSC Medicinal Chemistry (2023)
Space group: A e a 2
Cell volume: 3716.3
Cell parameters: 13.1496; 21.1566; 13.3584; 90; 90; 90;  

COD ID: 7247100
CIF file Formula: - C14 H11 N O5 S -
Comments: Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds RSC Medicinal Chemistry (2023)
Space group: P b c n
Cell volume: 4042.8
Cell parameters: 23.24; 13.0799; 13.2996; 90; 90; 90;  

COD ID: 7247130
CIF file Formula: - C21 H36 N3 O6 P S2 -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 2629.92
Cell parameters: 11.8864; 17.0353; 13.0083; 90; 93.201; 90;  

COD ID: 7247131
CIF file Formula: - C24 H39 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1304.63
Cell parameters: 9.9148; 10.94; 14.0426; 83.162; 71.761; 64.421;  

COD ID: 7247132
CIF file Formula: - C20 H33 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 2357.51
Cell parameters: 12.7772; 13.5168; 13.6871; 90; 94.199; 90;  

COD ID: 7247133
CIF file Formula: - C24 H41 N2 O7 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1346.58
Cell parameters: 8.906; 12.7308; 13.1186; 73.251; 76.379; 73.533;  

COD ID: 7247134
CIF file Formula: - C20 H33 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 5019.2
Cell parameters: 15.5581; 16.4388; 19.924; 94.181; 98.983; 90.241;  

COD ID: 7247135
CIF file Formula: - C21 H35 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1191.44
Cell parameters: 9.2861; 11.2061; 12.362; 103.022; 100.213; 102.017;  

COD ID: 7247136
CIF file Formula: - C24 H39 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 5253.42
Cell parameters: 18.2265; 14.9162; 19.3281; 90; 91.281; 90;  

COD ID: 7247137
CIF file Formula: - C51 H76 N4 O12 P2 S2 -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: C 1 2/c 1
Cell volume: 11106
Cell parameters: 48.4808; 12.1659; 18.9571; 90; 96.648; 90;  

COD ID: 7247138
CIF file Formula: - C25 H37 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1348.64
Cell parameters: 9.046; 10.9706; 13.8583; 86.282; 87.202; 79.542;  

COD ID: 7247139
CIF file Formula: - C24 H35 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 2582.95
Cell parameters: 10.258; 17.1642; 14.6705; 90; 90.482; 90;  

COD ID: 7247140
CIF file Formula: - C24 H39 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/n 1
Cell volume: 2727.81
Cell parameters: 11.3325; 14.4994; 16.6241; 90; 93.009; 90;  

COD ID: 7247141
CIF file Formula: - C21 H35 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 1241.97
Cell parameters: 8.8287; 10.6334; 14.2157; 109.022; 90.103; 99.548;  

COD ID: 7247142
CIF file Formula: - C25 H37 N2 O6 P S -
Comments: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 2760.47
Cell parameters: 9.3831; 26.8231; 11.5306; 90; 107.972; 90;  

COD ID: 7247382
CIF file Formula: - C60 H60 Cl12 Cu2 N4 O4 -
Comments: Kazimir, Aleksandr; Schwarze, Benedikt; Lönnecke, Peter; Jelača, Sanja; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Hey-Hawkins, Evamarie Exploring the Potential of Tamoxifen-based Copper(II) Dichloride in Breast Cancer Therapy RSC Medicinal Chemistry (2023)
Space group: P 1 21/c 1
Cell volume: 3245.01
Cell parameters: 9.0998; 18.2094; 19.584; 90; 90.433; 90;  

COD ID: 7247414
CIF file Formula: - C20 H21 F O5 -
Comments: Huo, Zhipeng; Min, Delin; Zhang, Shijie; Tang, Mei-Lin; Sun, Xun Discovery of Novel Tubulin CBSI (R)-9k from Indanone Scaffold for the Treatment of Colorectal Cancer RSC Medicinal Chemistry (2023)
Space group: P 1 21 1
Cell volume: 886.6
Cell parameters: 14.3474; 4.428; 14.8423; 90; 109.905; 90;  

COD ID: 7247570
CIF file Formula: - C15 H13 F O2 -
Comments: Uchiyama, Hiromasa; Ban, Kazuho; Nozaki, Shiho; Ikeda, Yui; Ishimoto, Takayoshi; Fujioka, Hiroyoshi; Kamiya, Mako; Amari, Ryugo; Tsujino, Hirofumi; Arai, Masayoshi; Yamazoe, Sachi; Maekawa, Keiko; Kato, Takuma; Doi, Mitsunobu; Kadota, Kazunori; Tozuka, Yuichi; Tomita, Naohito; Sajiki, Hironao; Akai, Shuji; Sawama, Yoshinari Impact of multiple H/D replacements on the physicochemical properties of flurbiprofen RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 608.74
Cell parameters: 5.7122; 9.2022; 12.6766; 73.094; 82.925; 72.866;  

COD ID: 7247571
CIF file Formula: - C15 H5 D8 F O2 -
Comments: Uchiyama, Hiromasa; Ban, Kazuho; Nozaki, Shiho; Ikeda, Yui; Ishimoto, Takayoshi; Fujioka, Hiroyoshi; Kamiya, Mako; Amari, Ryugo; Tsujino, Hirofumi; Arai, Masayoshi; Yamazoe, Sachi; Maekawa, Keiko; Kato, Takuma; Doi, Mitsunobu; Kadota, Kazunori; Tozuka, Yuichi; Tomita, Naohito; Sajiki, Hironao; Akai, Shuji; Sawama, Yoshinari Impact of multiple H/D replacements on the physicochemical properties of flurbiprofen RSC Medicinal Chemistry (2023)
Space group: P -1
Cell volume: 606.22
Cell parameters: 5.712; 9.161; 12.6671; 73.27; 82.917; 72.913;  

COD ID: 7247830
CIF file Formula: - C33 H36 N2 O4 -
Comments: Hernández-Vázquez, Eduardo; Martínez-Caballero, Siseth; Aldana-Torres, Diana; Estrada-Soto, Samuel; Nieto-Camacho, Antonio Discovery of phenolic 2-arylidene-isoquinolinones with antioxidant and α-glucosidase inhibition dual action. RSC Medicinal Chemistry (2023)
Space group: P 21 21 21
Cell volume: 2955.9
Cell parameters: 9.0933; 16.561; 19.628; 90; 90; 90;  

COD ID: 7247985
CIF file Formula: - C35.5 H40 Cl N O6 -
Comments: Hobson, Adrian D.; Zhu, Haizhong; Qiu, Wei; Judge, Russell; Longenecker, Kenton Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties RSC Medicinal Chemistry (2024)
Space group: P 1 21 1
Cell volume: 3102.7
Cell parameters: 7.6256; 28.525; 14.6246; 90; 102.751; 90;  

COD ID: 7248059
CIF file Formula: - C16 H15 Cl N4 O3 S2 -
Comments: Krishna Rao, Vajja; Paul, Subarno; Gulkis, Mitchell; Shen, Zhihang; Nair, Haritha; Singh, Amandeep; Li, Chenglong; Sharma, Arun K.; Çağlayan, Melike; Das, Chinmay; Das, Biswajit; Kundu, Chanakya Nath; Narayan, Satya; Guchhait, Sankar Kumar Molecular Editing of NSC-666719 Enabling Discovery of benzodithiazinedioxide-guanidines as Anticancer Agents RSC Medicinal Chemistry (2024)
Space group: C 1 2/c 1
Cell volume: 3460.96
Cell parameters: 25.8739; 9.36039; 14.3273; 90; 94.12; 90;  

COD ID: 7248199
CIF file Formula: - C24 H18 N2 Ni O2 -
Comments: Singh, Simranjeet; Choudhary, Mukesh Unusual Ni⋯Ni interaction in Ni(ii) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1904.5
Cell parameters: 17.8664; 8.2689; 13.0861; 90; 99.896; 90;  

COD ID: 7248200
CIF file Formula: - C24 H18 N2 Ni O2 -
Comments: Singh, Simranjeet; Choudhary, Mukesh Unusual Ni⋯Ni interaction in Ni(ii) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1893.3
Cell parameters: 8.243; 13.068; 17.906; 99.85; 92.64; 93.66;  

COD ID: 7248303
CIF file Formula: - C57 H47 Cl15 Cu2 N6 O8 -
Comments: Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 6722.9
Cell parameters: 13.8332; 17.6483; 27.905; 90; 99.303; 90;  

COD ID: 7248304
CIF file Formula: - C93 H72 Cl12 Fe4 N12 -
Comments: Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes RSC Medicinal Chemistry (2024)
Space group: P 1 21 1
Cell volume: 4323.1
Cell parameters: 14.645; 20.687; 15.733; 90; 114.91; 90;  

COD ID: 7248305
CIF file Formula: - C24 H21 Cl2 N3 O S Zn -
Comments: Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 2290.9
Cell parameters: 11.4375; 12.7938; 17.4125; 72.831; 71.099; 79.124;  

COD ID: 7248317
CIF file Formula: - C11 H11 N O2 Se -
Comments: Crocetti, Letizia; Catarzi, Francesca; Giovannoni, Maria Paola; Vergelli, Claudia; Bartolucci, Gianluca; Pallecchi, Marco; Paoli, Paola; Rossi, Patrizia; Lippi, Martina; Schepetkin, Igor A.; Quinn, Mark T.; Guerrini, Gabriella Ebselen analogues with dual human neutrophil elastase (HNE) inhibitory and antiradical activity RSC Medicinal Chemistry (2024)
Space group: P b c a
Cell volume: 2121.1
Cell parameters: 12.9756; 7.1286; 22.9309; 90; 90; 90;  

COD ID: 7248318
CIF file Formula: - C8 H10 B F O2 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P b c a
Cell volume: 2240.18
Cell parameters: 11.0854; 12.6784; 15.9392; 90; 90; 90;  

COD ID: 7248319
CIF file Formula: - C12 H4 Br2 F4 S2 -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 21 21 21
Cell volume: 1387.97
Cell parameters: 7.2662; 10.2301; 18.6721; 90; 90; 90;  

COD ID: 7248320
CIF file Formula: - C13 H6 Br2 F4 S2 -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P c c n
Cell volume: 1479.13
Cell parameters: 14.4495; 7.5081; 13.634; 90; 90; 90;  

COD ID: 7248321
CIF file Formula: - C18 H15 B F3 N O4 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1998.91
Cell parameters: 11.9609; 6.7922; 25.2398; 90; 102.88; 90;  

COD ID: 7248322
CIF file Formula: - C11 H12 B F2 N O2 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 m 1
Cell volume: 654.86
Cell parameters: 8.7169; 7.4368; 10.3692; 90; 103.038; 90;  

COD ID: 7248323
CIF file Formula: - C12 H14 B F2 N O5 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: C 1 2/c 1
Cell volume: 3194.3
Cell parameters: 26.9983; 8.387; 16.1371; 90; 119.051; 90;  

COD ID: 7248324
CIF file Formula: - C8 H8 B Cl F2 O4 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1288.11
Cell parameters: 12.2732; 10.004; 11.996; 90; 119.008; 90;  

COD ID: 7248325
CIF file Formula: - C12 H18 B F2 O5 P S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1796.9
Cell parameters: 13.0595; 7.3061; 18.839; 90; 91.507; 90;  

COD ID: 7248326
CIF file Formula: - C15 H17 B F2 N2 O4 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1789.57
Cell parameters: 8.6314; 10.5815; 20.2719; 80.173; 80.3; 82.873;  

COD ID: 7248327
CIF file Formula: - C11 H14 B F O3 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 672.94
Cell parameters: 6.8604; 9.1623; 11.9467; 101.758; 103.715; 105.684;  

COD ID: 7248328
CIF file Formula: - C14 H13 B F3 N O4 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 848.76
Cell parameters: 6.526; 10.55; 13.1827; 101.774; 90.259; 106.776;  

COD ID: 7248329
CIF file Formula: - C18 H16 B F2 N O4 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1969.34
Cell parameters: 11.9955; 6.7688; 24.8601; 90; 102.673; 90;  

COD ID: 7248330
CIF file Formula: - C12 H16 B F2 N O5 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1529.44
Cell parameters: 10.3865; 16.0059; 10.0154; 90; 113.281; 90;  

COD ID: 7248331
CIF file Formula: - C16 H17 B F2 O4 S2 Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 907.49
Cell parameters: 9.4513; 9.8968; 12.2922; 91.269; 112.587; 118.044;  

COD ID: 7248496
CIF file Formula: - C26 H17.67 N3 O1.33 S -
Comments: Bhakta, Avijit; Mukhtar, Sayeed; Anwar, Saleha; Haider, Shaista; Alahmdi, Mohammed Issa; Parveen, Humaira; Alsharif, Meshari A.; Wani, Mohmmad Younus; Chakrabarty, Anindita; Hassan, Md. Imtaiyaz; Ahmed, Naseem Design, synthesis, molecular docking and anti-proliferative activity of novel phenothiazine containing imidazo[1,2-a]pyridine derivatives against MARK4 protein RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 6550.7
Cell parameters: 12.19; 33.234; 16.193; 90; 93.071; 90;  

COD ID: 7248594
CIF file Formula: - C12 H4 D16 O8 Se4 -
Comments: Gandhi, Vishwa V.; Pal, Manoj Kumar; Singh, Beena G.; Das, Ram P.; Wadawale, A. P.; Dey, Sandip; Kunwar, Amit Deuterium labeling improves the therapeutic index of 3,3′-diselenodipropionic acid as anticancer agent: Insights from redox reactions RSC Medicinal Chemistry (2024)
Space group: C 1 2/c 1
Cell volume: 962.73
Cell parameters: 5.5158; 9.1291; 19.1868; 90; 94.815; 90;  

COD ID: 7248681
CIF file Formula: - C26 H29 Cl2 F13 N2 O4 -
Comments: Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy RSC Medicinal Chemistry (2024)
Space group: P c a 21
Cell volume: 3205.09
Cell parameters: 10.979; 30.0354; 9.7195; 90; 90; 90;  

COD ID: 7248682
CIF file Formula: - C25 H25 Cl3 F17 N3 O2 -
Comments: Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy RSC Medicinal Chemistry (2024)
Space group: I 1 2 1
Cell volume: 3269.1
Cell parameters: 22.4357; 5.2436; 27.9895; 90; 96.882; 90;  

COD ID: 7248683
CIF file Formula: - C28 H29 Cl2 F17 N2 O4 -
Comments: Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy RSC Medicinal Chemistry (2024)
Space group: P c a 21
Cell volume: 3453.36
Cell parameters: 11.0351; 32.0681; 9.7587; 90; 90; 90;  

COD ID: 7248684
CIF file Formula: - C30 H29 Cl2 F21 N2 O4 -
Comments: Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy RSC Medicinal Chemistry (2024)
Space group: P c a 21
Cell volume: 3705.4
Cell parameters: 10.9654; 34.582; 9.7715; 90; 90; 90;  

COD ID: 7248982
CIF file Formula: - C16 H17 N3 O4 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 774.96
Cell parameters: 8.7742; 9.1629; 10.6026; 86.044; 88.978; 65.694;  

COD ID: 7248983
CIF file Formula: - C16 H15 F3 N2 O2 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1504.3
Cell parameters: 5.826; 25.78; 11.897; 90; 122.66; 90;  

COD ID: 7248984
CIF file Formula: - C12 H11 N3 O4 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 595.48
Cell parameters: 6.2902; 7.3546; 12.9978; 85.35; 88.976; 83.526;  

COD ID: 7248985
CIF file Formula: - C13 H11 F3 N2 O2 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: I 1 a 1
Cell volume: 5158.9
Cell parameters: 15.723; 14.3769; 23.665; 90; 105.339; 90;  

COD ID: 7248986
CIF file Formula: - C26 H24 F6 N4 O5 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1323.97
Cell parameters: 9.7912; 11.5563; 12.0456; 91.342; 101.399; 97.183;  

COD ID: 7248987
CIF file Formula: - C13 H11 N3 O2 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1193.3
Cell parameters: 13.6508; 6.936; 12.6244; 90; 93.35; 90;  

COD ID: 7248988
CIF file Formula: - C16 H15 N3 O2 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1433
Cell parameters: 5.7707; 24.525; 10.1461; 90; 93.696; 90;  

COD ID: 7248989
CIF file Formula: - C22 H20 Br N3 O4 -
Comments: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A. 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus. RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 2126.4
Cell parameters: 9.339; 13.222; 18.311; 78.539; 77.793; 77.049;  

COD ID: 7249040
CIF file Formula: - C20 H15 Fe N3 O -
Comments: Das, Rudradip; Chatterjee, Deep Rohan; Kapoor, Saumya; Vyas, Het; Shard, Amit Novel Sulfonamides Unveiled as Potent Anti-Lung Cancer Agents via Tumor Pyruvate Kinase M2 Activation RSC Medicinal Chemistry (2024)
Space group: P 1 c 1
Cell volume: 1603.74
Cell parameters: 21.2502; 5.9304; 13.1767; 90; 105.031; 90;  

COD ID: 7249041
CIF file Formula: - C41 H37 N5 O5 -
Comments: Islam, Mohammad Shahidul; Al-Jassas, Refaah Mousa; Al-Majid, Abdullah Mohammed; Haukka, Matti; Nafie, Mohamed S.; Abu-Serie, Marwa M; Teleb, Mohamed; El-Yazbi, Amira Fawzy; Alayyaf, Abdul Majeed Abdullah; Barakat, Assem; Shaaban, Marwa Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; Synthesis, evaluation, and molecular modelling studies RSC Medicinal Chemistry (2024)
Space group: P 21 21 21
Cell volume: 3500.9
Cell parameters: 11.1512; 11.4201; 27.4907; 90; 90; 90;  

COD ID: 7249054
CIF file Formula: - C20 H13 N O2 -
Comments: Ballarin, Giovanna; Biasiotto, Maddalena; Reisbitzer, Annika; Hegels, Marlen; Bolte, Michael; Krauß, Sybille; Berdnikova, Daria V. A novel aurone RNA CAG binder inhibits the Huntingtin RNA–protein interaction RSC Medicinal Chemistry (2024)
Space group: P n a 21
Cell volume: 1432.9
Cell parameters: 11.1186; 33.698; 3.8243; 90; 90; 90;  

COD ID: 7249055
CIF file Formula: - C20 H21 N O3 -
Comments: Ballarin, Giovanna; Biasiotto, Maddalena; Reisbitzer, Annika; Hegels, Marlen; Bolte, Michael; Krauß, Sybille; Berdnikova, Daria V. A novel aurone RNA CAG binder inhibits the Huntingtin RNA–protein interaction RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1693.3
Cell parameters: 8.6748; 16.7658; 11.7777; 90; 98.695; 90;  

COD ID: 7249076
CIF file Formula: - C18 H17 N5 O3 -
Comments: Deb, Mousumi; Singh, Hoshiyar; Manhas, Diksha; Nandi, Utpal; Guru, Santosh Kumar; Das, Parthasarathi Development of di-arylated 1,2,4-triazole-based derivatives as therapeutic agents against breast cancer: synthesis and biological evaluation RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1752.88
Cell parameters: 13.0154; 6.8065; 20.5824; 90; 105.985; 90;  

COD ID: 7249148
CIF file Formula: - C22.4 H19.8 Cl N4 O4.2 S3 -
Comments: Maji, Avik; Himaja, Ambati; Nikhitha, Sripathi; Rana, Soumitra; Paul, Abhik; Samanta, Ajeya; Shee, Uday; Mukhopadhyay, Chhanda; Ghosh, Balaram; Maity, Tapan Kumar Synthesis and antiproliferative potency of 1,3,4-thiadiazole and 1,3-thiazolidine-4-one based new binary heterocyclic molecules: in vitro cell-based anticancer studies RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1417
Cell parameters: 10.27; 10.497; 13.887; 73.266; 81.446; 85.763;  

COD ID: 7249149
CIF file Formula: - C21 H18 Cl2 N4 O3 S4 -
Comments: Maji, Avik; Himaja, Ambati; Nikhitha, Sripathi; Rana, Soumitra; Paul, Abhik; Samanta, Ajeya; Shee, Uday; Mukhopadhyay, Chhanda; Ghosh, Balaram; Maity, Tapan Kumar Synthesis and antiproliferative potency of 1,3,4-thiadiazole and 1,3-thiazolidine-4-one based new binary heterocyclic molecules: in vitro cell-based anticancer studies RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 2579.6
Cell parameters: 10.146; 17.022; 15.237; 90; 101.398; 90;  

COD ID: 7249150
CIF file Formula: - C8 H11 F3 N2 O5 S -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 21 21 21
Cell volume: 1214.34
Cell parameters: 8.7426; 8.8249; 15.7395; 90; 90; 90;  

COD ID: 7249151
CIF file Formula: - C15 H20 Au F3 N4 O7 S -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 4248.4
Cell parameters: 20.6354; 6.9529; 31.3133; 90; 108.983; 90;  

COD ID: 7249152
CIF file Formula: - C8 H13 B F4 N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 573.16
Cell parameters: 8.1082; 8.1979; 9.6164; 79.2; 88.373; 66.083;  

COD ID: 7249153
CIF file Formula: - C9 H12 Au Cl6 D N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1718.19
Cell parameters: 8.21; 11.0977; 19.0738; 90; 98.627; 90;  

COD ID: 7249154
CIF file Formula: - C8 H12 Au Cl N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 2207.33
Cell parameters: 17.5275; 7.06271; 17.9398; 90; 96.314; 90;  

COD ID: 7249155
CIF file Formula: - C15 H20 Au Cl2 F3 N4 O7 S -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1176.57
Cell parameters: 9.8429; 10.4605; 12.6806; 82.846; 85.097; 65.348;  

COD ID: 7249156
CIF file Formula: - C16 H24 Au B F4 N4 O4 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1058.32
Cell parameters: 7.02; 10.3525; 15.2507; 86.57; 79.101; 76.542;  

COD ID: 7249157
CIF file Formula: - C6 H8 Au Cl3 N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 1132.52
Cell parameters: 10.7651; 10.9548; 11.9269; 66.2328; 83.8452; 62.158;  

COD ID: 7249158
CIF file Formula: - C7 H10 Au Cl N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 2016.5
Cell parameters: 7.68619; 17.2395; 15.2298; 90; 92.2421; 90;  

COD ID: 7249159
CIF file Formula: - C16 H24 Au B Cl2 F4 N4 O4 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 2419.95
Cell parameters: 10.9098; 11.4446; 21.1235; 104.139; 92.906; 107.309;  

COD ID: 7249160
CIF file Formula: - C8 H11 Au Cl6 N2 O2 -
Comments: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 1631.59
Cell parameters: 7.9945; 10.9103; 19.0105; 90; 100.267; 90;  

COD ID: 7249171
CIF file Formula: - C23 H24.2 F N7 O6.1 -
Comments: Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides RSC Medicinal Chemistry (2024)
Space group: P 21 21 21
Cell volume: 2403.28
Cell parameters: 7.9953; 15.3161; 19.6255; 90; 90; 90;  

COD ID: 7249172
CIF file Formula: - C17 H18 N6 O5 -
Comments: Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides RSC Medicinal Chemistry (2024)
Space group: P 1 21 1
Cell volume: 863.81
Cell parameters: 7.1764; 13.7285; 9.1307; 90; 106.208; 90;  

COD ID: 7249173
CIF file Formula: - C41 H53 N9 O5 Si2 -
Comments: Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides RSC Medicinal Chemistry (2024)
Space group: P 1 21 1
Cell volume: 2185.2
Cell parameters: 13.579; 11.3344; 14.3892; 90; 99.352; 90;  

COD ID: 7249308
CIF file Formula: - C30 H26 Cu N4 O7 -
Comments: Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells RSC Medicinal Chemistry (2024)
Space group: P 1 21/c 1
Cell volume: 2811
Cell parameters: 8.269; 40.45; 9.081; 90; 112.25; 90;  

COD ID: 7249309
CIF file Formula: - C43 H36 N2 O6 Zn -
Comments: Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 3588
Cell parameters: 10.625; 14.831; 22.8; 90; 93; 90;  

COD ID: 7249310
CIF file Formula: - C54 H42 N2 O6 Zn -
Comments: Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 2239.1
Cell parameters: 12.533; 13.657; 14.655; 104.069; 106.86; 100.62;  

COD ID: 7249389
CIF file Formula: - C23 H24 N2 O -
Comments: Itoh, Kennosuke; Nakahara, Hiroki; Takashino, Atsushi; Hara, Aya; Katsuno, Akiho; Abe, Yuriko; Mizuguchi, Takaaki; Karaki, Fumika; Hirayama, Shigeto; Nagai, Kenichiro; Seki, Reiko; Sato, Noriko; Okuyama, Kazuki; Hashimoto, Masashi; Tokunaga, Ken; Ishida, Hitoshi; Mikami, Fusako; Kwofie, Kofi Dadzie; Kawada, Hayato; Lin, Bangzhong; NUNOMURA, Kazuto; Kanai, Toshio; Hatta, Takeshi; Tsuji, Naotoshi; Haruta, Junichi; Fujii, Hideaki Anti-Schistosomal Activity and ADMET Properties of 1,2,5-Oxadiazinane-Containing Compound Synthesized by Visible-Light Photoredox Catalysis RSC Medicinal Chemistry (2024)
Space group: C 1 2/c 1
Cell volume: 3675.8
Cell parameters: 21.631; 5.52013; 30.7878; 90; 90.895; 90;  

COD ID: 7249390
CIF file Formula: - C14 H15 N O2 -
Comments: Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N. Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry RSC Medicinal Chemistry (2024)
Space group: C 1 2/c 1
Cell volume: 2415.52
Cell parameters: 15.4613; 7.7422; 20.6904; 90; 102.765; 90;  

COD ID: 7249391
CIF file Formula: - C22 H15 N O2 -
Comments: Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N. Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry RSC Medicinal Chemistry (2024)
Space group: F d d 2
Cell volume: 6815
Cell parameters: 35.2203; 20.9152; 9.2515; 90; 90; 90;  

COD ID: 7249392
CIF file Formula: - C16 H19 N O2 -
Comments: Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N. Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry RSC Medicinal Chemistry (2024)
Space group: P 1 21/n 1
Cell volume: 1426.47
Cell parameters: 8.1231; 9.1098; 19.3288; 90; 94.209; 90;  

COD ID: 7249484
CIF file Formula: - C21 H14 N4 O2 -
Comments: Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 823.52
Cell parameters: 7.3072; 10.6416; 12.3542; 65.804; 74.301; 72.465;  

COD ID: 7249485
CIF file Formula: - C20 H17 N3 O6 -
Comments: Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 895
Cell parameters: 8.0947; 10.0181; 11.8931; 71.761; 77.741; 86.957;  

COD ID: 7249486
CIF file Formula: - C21 H14 N4 O2 -
Comments: Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator RSC Medicinal Chemistry (2024)
Space group: P -1
Cell volume: 796.49
Cell parameters: 9.1156; 9.7993; 10.6132; 93.016; 112.64; 111.021;  

COD ID: 7249487
CIF file Formula: - C22 H14 N4 O4 -
Comments: Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator RSC Medicinal Chemistry (2024)
Space group: P b c a
Cell volume: 3485.1
Cell parameters: 7.08; 21.6873; 22.6977; 90; 90; 90;  


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