Crystallography Open Database

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Searching journal of publication like 'ACS medicinal chemistry letters'

COD ID: 4501473

Formula: - C24 H34 F N6 O9 P -
Comments: Chang, Wonsuk; Bao, Donghui; Chun, Byoung-Kwon; Naduthambi, Devan; Nagarathnam, Dhanapalan; Rachakonda, Suguna; Reddy, P. Ganapati; Ross, Bruce S.; Zhang, Hai-Ren; Bansal, Shalini; Espiritu, Christine L.; Keilman, Meg; Lam, Angela M.; Niu, Congrong; Steuer, Holly Micolochick; Furman, Phillip A.; Otto, Michael J.; Sofia, Michael J. Discovery of PSI-353661, a Novel Purine Nucleotide Prodrug for the Treatment of HCV Infection ACS Medicinal Chemistry Letters 2(2) (2011) 130
Space group: P 21 21 21
Cell volume: 2929.6
Cell parameters: 10.9918; 13.0925; 20.357; 90; 90; 90;

COD ID: 4501474
CIF file	Formula: - C24 H27 N O3 - Comments: Leighty, Matthew W.; Georg, Gunda I. Total Syntheses and Cytotoxicity of (R)- and (S)-Boehmeriasin A. ACS medicinal chemistry letters 2(4) (2011) 313-315 Space group: P 1 21 1 Cell volume: 1919 Cell parameters: 13.378; 6.5197; 22.033; 90; 93.028; 90;

COD ID: 4505636

Formula: - C26 H29 F3 O6 -
Comments: Velvadapu, Venkata; Glassford, Ian; Lee, Miseon; Paul, Tapas; Debrosse, Charles; Klepacki, Dorota; Small, Meagan C.; Mackerell, Jr, Alexander D; Andrade, Rodrigo B. Desmethyl Macrolides: Synthesis and Evaluation of 4,10-Didesmethyl Telithromycin. ACS medicinal chemistry letters 3(3) (2012) 211-215
Space group: P 21 21 21
Cell volume: 2486
Cell parameters: 7.2195; 12.224; 28.17; 90; 90; 90;

COD ID: 4505637

Formula: - C30 H32 N2 O8 S -
Comments: Yamaguchi, Takao; Blázquez, Blas; Hesek, Dusan; Lee, Mijoon; Llarrull, Leticia I.; Boggess, Bill; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar Inhibitors for Bacterial Cell-Wall Recycling. ACS medicinal chemistry letters 3(3) (2012) 238-242
Space group: P 21 21 21
Cell volume: 3024.53
Cell parameters: 7.3789; 12.7852; 32.0596; 90; 90; 90;

COD ID: 4506416

Formula: - C15 H13 I O3 S2 -
Comments: Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters 3(6) (2012) 490-495
Space group: P n a 21
Cell volume: 1575.24
Cell parameters: 9.0219; 5.1183; 34.1133; 90; 90; 90;

COD ID: 4506417

Formula: - C15 H9 F5 O3 S2 -
Comments: Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters 3(6) (2012) 490-495
Space group: C 1 2/c 1
Cell volume: 3132.1
Cell parameters: 21.3874; 5.5765; 26.7076; 90; 100.485; 90;

COD ID: 4506418

Formula: - C15 H9 F4 I O3 S2 -
Comments: Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters 3(6) (2012) 490-495
Space group: P 1 21/n 1
Cell volume: 1645.28
Cell parameters: 16.9301; 5.6351; 18.5698; 90; 111.768; 90;

COD ID: 4506419

Formula: - C16 H17 N O5 S3 -
Comments: Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters 3(6) (2012) 490-495
Space group: P 1 c 1
Cell volume: 869.39
Cell parameters: 16.7476; 5.3576; 9.8572; 90; 100.589; 90;

COD ID: 4506420

Formula: - C15 H16 N2 O5 S3 -
Comments: Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters 3(6) (2012) 490-495
Space group: P -1
Cell volume: 869.86
Cell parameters: 5.7099; 10.7256; 15.2849; 107.324; 95.601; 99.714;

COD ID: 4508611

Formula: - C36 H50 O10 -
Comments: Motiwala, Hashim F.; Bazzill, Joseph; Samadi, Abbas; Zhang, Huaping; Timmermann, Barbara N.; Cohen, Mark S.; Aub Jeffrey Synthesis and Cytotoxicity of Semisynthetic Withalongolide A Analogues ACS Medicinal Chemistry Letters 4(11) (2013) 1069
Space group: P 1 21 1
Cell volume: 1711.16
Cell parameters: 11.9047; 12.2331; 12.3943; 90; 108.556; 90;

COD ID: 4510040

Formula: - C19.5 H16.5 Cl1.5 N2 O4 -
Comments: Konreddy, Ananda Kumar; Toyama, Massaki; Ito, Wataru; Bal, Chandralata; Baba, Masanori; Sharon, Ashoke Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues. ACS medicinal chemistry letters 5(3) (2014) 259-263
Space group: P -1
Cell volume: 1841.8
Cell parameters: 10.5477; 14.464; 14.486; 62.635; 70.78; 86.674;

COD ID: 4510840

Formula: - C17 H26 Cl N O -
Comments: Torres, Eva; Fernández, Roser; Miquet, Stéphanie; Font-Bardia, Mercè; Vanderlinden, Evelien; Naesens, Lieve; Vázquez, Santiago Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds ACS Medicinal Chemistry Letters 3(12) (2012) 1065
Space group: P 1 21/c 1
Cell volume: 3149
Cell parameters: 11.898; 9.901; 27.23; 90; 101.02; 90;

COD ID: 4510954

Formula: - C21 H33 Cl2 F3 N2 O2 -
Comments: Gavrin, Lori K.; Mahaney, Paige E.; Jenkins, Douglas; Nogle, Lisa M.; Mugford, Cheryl A.; Huselton, Christine; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Alfinito, Peter; Ho, Douglas M.; Deecher, Darlene C.; Trybulski, Eugene J. Discovery of WAY-260022, a Potent and Selective Inhibitor of the Norepinephrine Transporter ACS Medicinal Chemistry Letters 1(3) (2010) 91
Space group: P 21 21 21
Cell volume: 2310.43
Cell parameters: 6.6012; 11.6826; 29.9592; 90; 90; 90;

COD ID: 4511662

Formula: - C42 H45 N O13 -
Comments: Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists. ACS medicinal chemistry letters 5(9) (2014) 1054-1059
Space group: P 1 21 1
Cell volume: 1981
Cell parameters: 15.5024; 6.2258; 20.953; 90; 101.598; 90;

COD ID: 4511858

Formula: - C30 H22 Cl N O5 -
Comments: Li, Bingbing X.; Xie, Fuchun; Fan, Qiuhua; Barnhart, Kerry M.; Moore, Curtis E.; Rheingold, Arnold L.; Xiao, Xiangshu Novel Type of Prodrug Activation through a Long-Range O,N-Acyl Transfer: A Case of Water-Soluble CREB Inhibitor. ACS medicinal chemistry letters 5(10) (2014) 1104-1109
Space group: P 1 21/c 1
Cell volume: 2346.25
Cell parameters: 20.3663; 6.5008; 18.3376; 90; 104.897; 90;

COD ID: 4513655

Formula: - C14 H17 Cl N2 O3 -
Comments: Egorova, Ksenia S.; Seitkalieva, Marina M.; Posvyatenko, Alexandra V.; Khrustalev, Victor N.; Ananikov, Valentine P. Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding. ACS medicinal chemistry letters 6(11) (2015) 1099-1104
Space group: P 1 21/n 1
Cell volume: 1411.7
Cell parameters: 7.2656; 15.5315; 12.533; 90; 93.44; 90;

COD ID: 4513658

Formula: - C15 H20 O3 -
Comments: Handore, Kishor L.; Jadhav, Prakash D.; Hazra, Bibhabasu; Basu, Anirban; Reddy, D. Srinivasa Total Syntheses and Biological Evaluation of (±)-Botryosphaeridione, (±)-Pleodendione, 4-epi-Periconianone B, and Analogues. ACS medicinal chemistry letters 6(11) (2015) 1117-1121
Space group: P -1
Cell volume: 648.12
Cell parameters: 7.2066; 9.6275; 9.8499; 84.696; 74.028; 81.042;

COD ID: 4513874

Formula: - C46 H79 F6 N Na O13 P -
Comments: Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids. ACS medicinal chemistry letters 7(6) (2016) 635-640
Space group: P 21 21 21
Cell volume: 5329.7
Cell parameters: 14.4679; 15.6477; 23.5422; 90; 90; 90;

COD ID: 4513875

Formula: - C43 H73 N O11 -
Comments: Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids. ACS medicinal chemistry letters 7(6) (2016) 635-640
Space group: P 1 21 1
Cell volume: 4263.4
Cell parameters: 12.678; 18.461; 18.603; 90; 101.706; 90;

COD ID: 4513876

Formula: - C43 H73 N O11 -
Comments: Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids. ACS medicinal chemistry letters 7(6) (2016) 635-640
Space group: P 1 21 1
Cell volume: 2203.5
Cell parameters: 10.5145; 17.8712; 12.8433; 90; 114.07; 90;

COD ID: 4513947

Formula: - C30 H38 Cl N3 O4 S2 -
Comments: 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 7(10) (2016) 896-901
Space group: P 21 21 21
Cell volume: 2983.4
Cell parameters: 8.7563; 18.1246; 18.7984; 90; 90; 90;

COD ID: 4514019
CIF file	Formula: - C17 H12 N4 O - Comments: 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 8(1) (2017) 124-127 Space group: P c a 21 Cell volume: 1324.2 Cell parameters: 28.608; 4.4122; 10.491; 90; 90; 90;

COD ID: 4514240

Formula: - C11 H10 Br2 F N S -
Comments: 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 8(11) (2017) 1183
Space group: C 1 2 1
Cell volume: 2508.56
Cell parameters: 17.9328; 6.97043; 20.1733; 90; 95.8396; 90;

COD ID: 4514241

Formula: - C11 H10 Br2 F N O -
Comments: 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 8(11) (2017) 1183
Space group: P 21 21 21
Cell volume: 2316.33
Cell parameters: 9.35893; 14.2993; 17.3085; 90; 90; 90;

COD ID: 4514242

Formula: - C11 H10 Br2 F N S -
Comments: 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 8(11) (2017) 1183
Space group: C 1 2 1
Cell volume: 2509.44
Cell parameters: 17.9398; 6.9704; 20.1721; 90; 95.826; 90;

COD ID: 4514243

Formula: - C22 H25 F N2 O3 S -
Comments: 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 8(11) (2017) 1183
Space group: P 21 21 21
Cell volume: 2068.74
Cell parameters: 8.38414; 9.70644; 25.42071; 90; 90; 90;

COD ID: 4514244

Formula: - C22 H25 F N2 O3 S -
Comments: 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 8(11) (2017) 1183
Space group: P 21 21 21
Cell volume: 2031.31
Cell parameters: 8.2516; 14.05983; 17.50889; 90; 90; 90;

COD ID: 4514245

Formula: - C11 H10 Br2 F N O -
Comments: 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 8(11) (2017) 1183
Space group: P 21 21 21
Cell volume: 2320.06
Cell parameters: 9.36317; 14.3078; 17.31825; 90; 90; 90;

COD ID: 4516813
CIF file	Formula: - C22 H42 O3 Si - Comments: 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 8(7) (2017) 746-750 Space group: P 1 21 1 Cell volume: 5034.3 Cell parameters: 12.6395; 32.5286; 12.7292; 90; 105.86; 90;

COD ID: 4516814
CIF file	Formula: - C60 H108 O9 Si3 - Comments: 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 8(7) (2017) 746-750 Space group: P 1 21 1 Cell volume: 1091.4 Cell parameters: 11.346; 7.3426; 13.759; 90; 107.79; 90;

COD ID: 4517463

Formula: - C15 H16 N2 O2 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 632.99
Cell parameters: 9.984; 5.4028; 12.6101; 90; 111.475; 90;

COD ID: 4517464

Formula: - C17 H16 N4 O -
Comments: 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)
Space group: P 1 21 1
Cell volume: 729.03
Cell parameters: 9.6081; 5.9379; 13.0825; 90; 102.38; 90;

COD ID: 4517465

Formula: - C38 H55 Cl N4 O5 -
Comments: 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)
Space group: P 1
Cell volume: 931.27
Cell parameters: 6.8163; 9.5313; 15.3468; 73.148; 77.834; 89.575;

COD ID: 4517466

Formula: - C19 H17 N3 O -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1514.32
Cell parameters: 5.3519; 10.567; 26.7767; 90; 90; 90;

COD ID: 4517467

Formula: - C27 H25 N3 O4 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 1078.9
Cell parameters: 13.777; 5.073; 15.86; 90; 103.272; 90;

COD ID: 4517468

Formula: - C18 H22 N2 O -
Comments: 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)
Space group: P 1 21 1
Cell volume: 1509.2
Cell parameters: 16.3071; 4.7352; 19.7305; 90; 97.866; 90;

COD ID: 4517469

Formula: - C15 H16 N2 O2 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1287.33
Cell parameters: 5.7224; 9.4414; 23.8273; 90; 90; 90;

COD ID: 4517470

Formula: - C20 H18 N2 O -
Comments: 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)
Space group: P 1 21 1
Cell volume: 770.91
Cell parameters: 9.8446; 5.8701; 13.6268; 90; 101.772; 90;

COD ID: 4517471

Formula: - C14 H14 N2 O -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1129.9
Cell parameters: 5.7576; 6.6825; 29.3671; 90; 90; 90;

COD ID: 4517472

Formula: - C16 H18 N2 O -
Comments: 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)
Space group: P 1 21 1
Cell volume: 665.69
Cell parameters: 10.7972; 4.7321; 13.9575; 90; 111.019; 90;

COD ID: 4517653

Formula: - C14 H28 O4 Si -
Comments: Yoshikawa, Yusuke; Ishibashi, Airi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Murai, Kenichi; Kaneda, Yasufumi; Nimura, Keisuke; Arisawa, Mitsuhiro Design and Synthesis of 1,2-Deoxy-pyranose Derivatives of Spliceostatin A toward Prostate Cancer Treatment ACS Medicinal Chemistry Letters (2020)
Space group: P 21 21 21
Cell volume: 5021.51
Cell parameters: 7.4599; 21.2716; 31.6447; 90; 90; 90;

COD ID: 4517722

Formula: - C22 H24 O6 -
Comments: Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies ACS Medicinal Chemistry Letters (2020)
Space group: P 1 21/c 1
Cell volume: 1839.8
Cell parameters: 16.0596; 4.9375; 24.003; 90; 104.836; 90;

COD ID: 4517723

Formula: - C18 H18 O5 -
Comments: Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies ACS Medicinal Chemistry Letters (2020)
Space group: P 1 21 1
Cell volume: 1492.96
Cell parameters: 4.7672; 18.8707; 16.6201; 90; 93.099; 90;

COD ID: 4518257

Formula: - C19 H26 O2 -
Comments: Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E. Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides ACS Medicinal Chemistry Letters (2020)
Space group: P 41
Cell volume: 1547.6
Cell parameters: 9.1412; 9.1412; 18.5205; 90; 90; 90;

COD ID: 4518258

Formula: - C26 H33 N O4 S -
Comments: Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E. Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides ACS Medicinal Chemistry Letters (2020)
Space group: P 21 21 21
Cell volume: 2286.62
Cell parameters: 9.18072; 9.24659; 26.9361; 90; 90; 90;

COD ID: 4518259

Formula: - C19 H26 O2 -
Comments: Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E. Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides ACS Medicinal Chemistry Letters (2020)
Space group: P 1 21 1
Cell volume: 1549.68
Cell parameters: 7.6756; 20.7238; 9.8982; 90; 100.184; 90;

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