HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 8OS

Identifiers

  • Canonical SMILES: 
    Cc1nc[nH]c1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N
  • IUPAC name: 
    5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine
  • InChi: 
    InChI=1S/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)/t6-,8-,9-,13-/m1/s1
  • InChiKey: 
    MUFMHNGPMISZRD-HTVVRFAVSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

124220278

RNA-SM complexes

PDB code Deposition date Reference publication
5ux3 Feb. 21, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0h Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0h Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0j Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0j Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0j Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0j Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v0k Feb. 28, 2017
5v0k Feb. 28, 2017
5v0o Feb. 28, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5v9z March 24, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5vcf March 31, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
5vci March 31, 2017 Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. . Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 427.10 g/mol
HBA 10
HBD 6
HBA + HBD
AlogP -2.12
TPSA 214.49
RB 5

Radar chart