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

135567321

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
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 11
HBD 6
HBA + HBD
AlogP -2.12
TPSA 214.49
RB 5

Radar chart