Crystallography Open Database
Search results
Result: there are 46 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'ACS Medicinal Chemistry Letters'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4513947 | CIF | C30 H38 Cl N3 O4 S2 | P 21 21 21 | 8.7563; 18.1246; 18.7984 90; 90; 90 | 2983.4 | Purkey, Hans E.; Robarge, Kirk; Chen, Jinhua; Chen, Zhongguo; Corson, Laura B.; Ding, Charles Z.; DiPasquale, Antonio G.; Dragovich, Peter S.; Eigenbrot, Charles; Evangelista, Marie; Fauber, Benjamin P.; Gao, Zhenting; Ge, Hongxiu; Hitz, Anna; Ho, Qunh; Labadie, Sharada S.; Lai, Kwong Wah; Liu, Wenfeng; Liu, Yajing; Li, Chiho; Ma, Shuguang; Malek, Shiva; O'Brien, Thomas; Pang, Jodie; Peterson, David; Salphati, Laurent; Sideris, Steve; Ultsch, Mark; Wei, BinQing; Yen, Ivana; Yue, Qin; Zhang, Huihui; Zhou, Aihe Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS medicinal chemistry letters, 2016, 7, 896-901 |
| 4514019 | CIF | C17 H12 N4 O | P c a 21 | 28.608; 4.4122; 10.491 90; 90; 90 | 1324.2 | Cisneros, José A; Robertson, Michael J.; Mercado, Brandon Q.; Jorgensen, William L. Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules. ACS medicinal chemistry letters, 2017, 8, 124-127 |
| 4514240 | CIF | C11 H10 Br2 F N S | C 1 2 1 | 17.9328; 6.97043; 20.1733 90; 95.8396; 90 | 2508.56 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4514241 | CIF | C11 H10 Br2 F N O | P 21 21 21 | 9.35893; 14.2993; 17.3085 90; 90; 90 | 2316.33 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4514242 | CIF | C11 H10 Br2 F N S | C 1 2 1 | 17.9398; 6.9704; 20.1721 90; 95.826; 90 | 2509.44 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4514243 | CIF | C22 H25 F N2 O3 S | P 21 21 21 | 8.38414; 9.70644; 25.42071 90; 90; 90 | 2068.74 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4514244 | CIF | C22 H25 F N2 O3 S | P 21 21 21 | 8.2516; 14.05983; 17.50889 90; 90; 90 | 2031.31 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4514245 | CIF | C11 H10 Br2 F N O | P 21 21 21 | 9.36317; 14.3078; 17.31825 90; 90; 90 | 2320.06 | Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183 |
| 4516813 | CIF | C22 H42 O3 Si | P 1 21 1 | 12.6395; 32.5286; 12.7292 90; 105.86; 90 | 5034.3 | Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A. Importance of a 4-Alkyl Substituent for Activity in the Englerin Series. ACS medicinal chemistry letters, 2017, 8, 746-750 |
| 4516814 | CIF | C60 H108 O9 Si3 | P 1 21 1 | 11.346; 7.3426; 13.759 90; 107.79; 90 | 1091.4 | Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A. Importance of a 4-Alkyl Substituent for Activity in the Englerin Series. ACS medicinal chemistry letters, 2017, 8, 746-750 |
| 4517463 | CIF | C15 H16 N2 O2 | P 1 21 1 | 9.984; 5.4028; 12.6101 90; 111.475; 90 | 632.99 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517464 | CIF | C17 H16 N4 O | P 1 21 1 | 9.6081; 5.9379; 13.0825 90; 102.38; 90 | 729.03 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517465 | CIF | C38 H55 Cl N4 O5 | P 1 | 6.8163; 9.5313; 15.3468 73.148; 77.834; 89.575 | 931.27 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517466 | CIF | C19 H17 N3 O | P 21 21 21 | 5.3519; 10.567; 26.7767 90; 90; 90 | 1514.32 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517467 | CIF | C27 H25 N3 O4 | P 1 21 1 | 13.777; 5.073; 15.86 90; 103.272; 90 | 1078.9 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517468 | CIF | C18 H22 N2 O | P 1 21 1 | 16.3071; 4.7352; 19.7305 90; 97.866; 90 | 1509.2 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517469 | CIF | C15 H16 N2 O2 | P 21 21 21 | 5.7224; 9.4414; 23.8273 90; 90; 90 | 1287.33 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517470 | CIF | C20 H18 N2 O | P 1 21 1 | 9.8446; 5.8701; 13.6268 90; 101.772; 90 | 770.91 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517471 | CIF | C14 H14 N2 O | P 21 21 21 | 5.7576; 6.6825; 29.3671 90; 90; 90 | 1129.9 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
| 4517472 | CIF | C16 H18 N2 O | P 1 21 1 | 10.7972; 4.7321; 13.9575 90; 111.019; 90 | 665.69 | Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors ACS Medicinal Chemistry Letters, 2020 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!