HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound M7M

Identifiers

  • Canonical SMILES: 
    CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  • IUPAC name: 
    N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)
  • InChi: 
    InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1
  • InChiKey: 
    DHQQIEJARUGVNZ-WOUKDFQISA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

137349735

RNA-SM complexes

PDB code Deposition date Reference publication
9l5r Dec. 23, 2024 Li Yi, Fischer Paulina, Wang Mengjiao, Zhou Qianxing, Song Aixia, Yuan Rui, Meng Wanyu, Chen Fei Xavier, Lührmann Reinhard, Lau Benjamin, Hurt Ed, Cheng Jingdong. . Structural insights into spliceosome fidelity: DHX35–GPATCH1- mediated rejection of aberrant splicing substrates Cell Research
9l5s Dec. 23, 2024 Li Yi, Fischer Paulina, Wang Mengjiao, Zhou Qianxing, Song Aixia, Yuan Rui, Meng Wanyu, Chen Fei Xavier, Lührmann Reinhard, Lau Benjamin, Hurt Ed, Cheng Jingdong. . Structural insights into spliceosome fidelity: DHX35–GPATCH1- mediated rejection of aberrant splicing substrates Cell Research
9l5t Dec. 23, 2024 Li Yi, Fischer Paulina, Wang Mengjiao, Zhou Qianxing, Song Aixia, Yuan Rui, Meng Wanyu, Chen Fei Xavier, Lührmann Reinhard, Lau Benjamin, Hurt Ed, Cheng Jingdong. . Structural insights into spliceosome fidelity: DHX35–GPATCH1- mediated rejection of aberrant splicing substrates Cell Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 487.09 g/mol
HBA 12
HBD 6
HBA + HBD
AlogP -2.28
TPSA 218.45
RB 7

Radar chart