HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound G2P

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
  • InChi: 
    InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
  • InChiKey: 
    GXTIEXDFEKYVGY-KQYNXXCUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

449108 DB03532

RNA-SM complexes

PDB code Deposition date Reference publication
1y77 Dec. 8, 2004 Kettenberger Hubert, Armache Karim-Jean, Cramer Patrick. . Complete RNA Polymerase II Elongation Complex Structure and Its Interactions with NTP and TFIIS Molecular Cell
2e2j Nov. 14, 2006 Wang Dong, Bushnell David A., Westover Kenneth D., Kaplan Craig D., Kornberg Roger D.. . Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis Cell
2nvt Nov. 13, 2006 Wang Dong, Bushnell David A., Westover Kenneth D., Kaplan Craig D., Kornberg Roger D.. . Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis Cell
4a3j Sept. 30, 2011 Cheung Alan C M, Sainsbury Sarah, Cramer Patrick. . Structural basis of initial RNA polymerase II transcription The EMBO Journal
4y7n Feb. 15, 2015 Wang Lanfeng, Zhou Yu, Xu Liang, Xiao Rui, Lu Xingyu, Chen Liang, Chong Jenny, Li Hairi, He Chuan, Fu Xiang-Dong, Wang Dong. . Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex Nature
6hko Sept. 7, 2018 Tafur Lucas, Sadian Yashar, Hanske Jonas, Wetzel Rene, Weis Felix, Müller Christoph W. . The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2 eLife
6hlq Sept. 11, 2018 Tafur Lucas, Sadian Yashar, Hanske Jonas, Wetzel Rene, Weis Felix, Müller Christoph W. . The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2 eLife
6hlr Sept. 11, 2018 Tafur Lucas, Sadian Yashar, Hanske Jonas, Wetzel Rene, Weis Felix, Müller Christoph W. . The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2 eLife
6usr Oct. 28, 2019 Schaich Matthew A, Sanford Samantha L, Welfer Griffin A, Johnson Samuel A, Khoang Thu H, Opresko Patricia L, Freudenthal Bret D. . Mechanisms of nucleotide selection by telomerase eLife
8bf5 Oct. 24, 2022 Kouba Tomas, Dubankova Anna, Drncova Petra, Donati Elisa, Vidossich Pietro, Speranzini Valentina, Pflug Alex, Huchting Johanna, Meier Chris, De Vivo Marco, Cusack Stephen. . Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106 Cell Reports
8ej3 Sept. 16, 2022 Vishwakarma Rishi K., Qayyum M. Zuhaib, Babitzke Paul, Murakami Katsuhiko S.. . Allosteric mechanism of transcription inhibition by NusG-dependent pausing of RNA polymerase Proceedings of the National Academy of Sciences
8exy Oct. 26, 2022 Vishwakarma Rishi K., Qayyum M. Zuhaib, Babitzke Paul, Murakami Katsuhiko S.. . Allosteric mechanism of transcription inhibition by NusG-dependent pausing of RNA polymerase Proceedings of the National Academy of Sciences
8qz8 Oct. 26, 2023 Arragain Benoit, Pelosse Martin, Thompson Albert, Cusack Stephen. . Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family Nature Communications
8z8x April 22, 2024 Xue Lu, Chang Tiancai, Li Zimu, Wang Chenchen, Zhao Heyu, Li Mei, Tang Peng, Wen Xin, Yu Mengmeng, Wu Jiqin, Bao Xichen, Wang Xiaojun, Gong Peng, He Jun, Chen Xinwen, Xiong Xiaoli. . Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses Nature Communications
8z90 April 22, 2024 Xue Lu, Chang Tiancai, Li Zimu, Wang Chenchen, Zhao Heyu, Li Mei, Tang Peng, Wen Xin, Yu Mengmeng, Wu Jiqin, Bao Xichen, Wang Xiaojun, Gong Peng, He Jun, Chen Xinwen, Xiong Xiaoli. . Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 521.01 g/mol
HBA 12
HBD 8
HBA + HBD
AlogP -2.23
TPSA 289.87
RB 8

Radar chart