HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound CDP

Identifiers

  • Canonical SMILES:
    NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
  • IUPAC name:
    cytidine 5'-(trihydrogen diphosphate)
  • InChi:
    InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
  • InChiKey:
    ZWIADYZPOWUWEW-XVFCMESISA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
4wtc Oct. 29, 2014 Appleby Todd C., Perry Jason K., Murakami Eisuke, Barauskas Ona, Feng Joy, Cho Aesop, Fox David, Wetmore Diana R., McGrath Mary E., Ray Adrian S., Sofia Michael J., Swaminathan S., Edwards Thomas E.. . Structural basis for RNA replication by the hepatitis C virus polymerase Science
4wtk Oct. 30, 2014 Appleby Todd C., Perry Jason K., Murakami Eisuke, Barauskas Ona, Feng Joy, Cho Aesop, Fox David, Wetmore Diana R., McGrath Mary E., Ray Adrian S., Sofia Michael J., Swaminathan S., Edwards Thomas E.. . Structural basis for RNA replication by the hepatitis C virus polymerase Science
8cbm Jan. 25, 2023 Meynier Vincent, Hardwick Steven W., Catala Marjorie, Roske Johann J., Oerum Stephanie, Chirgadze Dimitri Y., Barraud Pierre, Yue Wyatt W., Luisi Ben F., Tisné Carine. . Structural basis for human mitochondrial tRNA maturation Nature Communications
8gzr Sept. 27, 2022 Osawa Takuo, Aoki Mari, Ehara Haruhiko, Sekine Shun-ichi. . Structures of dengue virus RNA replicase complexes Molecular Cell
9ljr Jan. 15, 2025 Wang De-Ping, Zhao Rong, Hu Wen-Shu, Li Hai-Ning, Cao Ji-Min, Zhou Xin, Xiang Ye. . Structural insights into polymerase-catalyzed FAD capping of hepatitis C virus RNA Nature Communications
9ljs Jan. 15, 2025 Wang De-Ping, Zhao Rong, Hu Wen-Shu, Li Hai-Ning, Cao Ji-Min, Zhou Xin, Xiang Ye. . Structural insights into polymerase-catalyzed FAD capping of hepatitis C virus RNA Nature Communications
9ljt Jan. 15, 2025 Wang De-Ping, Zhao Rong, Hu Wen-Shu, Li Hai-Ning, Cao Ji-Min, Zhou Xin, Xiang Ye. . Structural insights into polymerase-catalyzed FAD capping of hepatitis C virus RNA Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 403.18 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart