HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound SRY

Identifiers

  • Canonical SMILES: 
    CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]3NC(N)=N
  • IUPAC name: 
    N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
  • InChi: 
    InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
  • InChiKey: 
    UCSJYZPVAKXKNQ-HZYVHMACSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

19649 CHEMBL372795 DB01082

RNA-SM complexes

PDB code Deposition date Reference publication
1fjg Aug. 8, 2000 Carter Andrew P., Clemons William M., Brodersen Ditlev E., Morgan-Warren Robert J., Wimberly Brian T., Ramakrishnan V.. . Functional insights from the structure of the 30S ribosomal subunit and its interactions with antibiotics Nature
1nta Jan. 29, 2003 Tereshko Valentina, Skripkin Eugene, Patel Dinshaw J. . Encapsulating Streptomycin within a Small 40-mer RNA Chemistry & Biology
1ntb Jan. 29, 2003 Tereshko Valentina, Skripkin Eugene, Patel Dinshaw J. . Encapsulating Streptomycin within a Small 40-mer RNA Chemistry & Biology
4dr3 Feb. 16, 2012 Demirci Hasan, Murphy Frank, Murphy Eileen, Gregory Steven T., Dahlberg Albert E., Jogl Gerwald. . A structural basis for streptomycin-induced misreading of the genetic code Nature Communications
4dr5 Feb. 16, 2012 Demirci Hasan, Murphy Frank, Murphy Eileen, Gregory Steven T., Dahlberg Albert E., Jogl Gerwald. . A structural basis for streptomycin-induced misreading of the genetic code Nature Communications
4dr6 Feb. 16, 2012 Demirci Hasan, Murphy Frank, Murphy Eileen, Gregory Steven T., Dahlberg Albert E., Jogl Gerwald. . A structural basis for streptomycin-induced misreading of the genetic code Nature Communications
4dr7 Feb. 16, 2012 Demirci Hasan, Murphy Frank, Murphy Eileen, Gregory Steven T., Dahlberg Albert E., Jogl Gerwald. . A structural basis for streptomycin-induced misreading of the genetic code Nature Communications
4duz Feb. 22, 2012
4dv1 Feb. 22, 2012
4dv3 Feb. 22, 2012
4dv5 Feb. 22, 2012
4dv7 Feb. 22, 2012
4ji1 March 5, 2013 Demirci Hasan, Wang Leyi, Murphy Frank V., Murphy Eileen L., Carr Jennifer F., Blanchard Scott C., Jogl Gerwald, Dahlberg Albert E., Gregory Steven T.. . The central role of protein S12 in organizing the structure of the decoding site of the ribosome RNA
4ji3 March 5, 2013 Demirci Hasan, Wang Leyi, Murphy Frank V., Murphy Eileen L., Carr Jennifer F., Blanchard Scott C., Jogl Gerwald, Dahlberg Albert E., Gregory Steven T.. . The central role of protein S12 in organizing the structure of the decoding site of the ribosome RNA
4ji8 March 5, 2013 Demirci Hasan, Wang Leyi, Murphy Frank V., Murphy Eileen L., Carr Jennifer F., Blanchard Scott C., Jogl Gerwald, Dahlberg Albert E., Gregory Steven T.. . The central role of protein S12 in organizing the structure of the decoding site of the ribosome RNA
4nxn Dec. 9, 2013
6rw4 June 3, 2019 Khawaja Anas, Itoh Yuzuru, Remes Cristina, Spåhr Henrik, Yukhnovets Olessya, Höfig Henning, Amunts Alexey, Rorbach Joanna. . Distinct pre-initiation steps in human mitochondrial translation Nature Communications
6rw5 June 3, 2019 Khawaja Anas, Itoh Yuzuru, Remes Cristina, Spåhr Henrik, Yukhnovets Olessya, Höfig Henning, Amunts Alexey, Rorbach Joanna. . Distinct pre-initiation steps in human mitochondrial translation Nature Communications
8qrk Oct. 9, 2023 Cipullo Miriam, Valentín Gesé Genís, Gopalakrishna Shreekara, Krueger Annika, Lobo Vivian, Pirozhkova Maria A., Marks James, Páleníková Petra, Shiriaev Dmitrii, Liu Yong, Misic Jelena, Cai Yu, Nguyen Minh Duc, Abdelbagi Abubakar, Li Xinping, Minczuk Michal, Hafner Markus, Benhalevy Daniel, Sarshad Aishe A., Atanassov Ilian, Hällberg B. Martin, Rorbach Joanna. . GTPBP8 plays a role in mitoribosome formation in human mitochondria Nature Communications
8qrm Oct. 9, 2023 Cipullo Miriam, Valentín Gesé Genís, Gopalakrishna Shreekara, Krueger Annika, Lobo Vivian, Pirozhkova Maria A., Marks James, Páleníková Petra, Shiriaev Dmitrii, Liu Yong, Misic Jelena, Cai Yu, Nguyen Minh Duc, Abdelbagi Abubakar, Li Xinping, Minczuk Michal, Hafner Markus, Benhalevy Daniel, Sarshad Aishe A., Atanassov Ilian, Hällberg B. Martin, Rorbach Joanna. . GTPBP8 plays a role in mitoribosome formation in human mitochondria Nature Communications
8qrn Oct. 9, 2023 Cipullo Miriam, Valentín Gesé Genís, Gopalakrishna Shreekara, Krueger Annika, Lobo Vivian, Pirozhkova Maria A., Marks James, Páleníková Petra, Shiriaev Dmitrii, Liu Yong, Misic Jelena, Cai Yu, Nguyen Minh Duc, Abdelbagi Abubakar, Li Xinping, Minczuk Michal, Hafner Markus, Benhalevy Daniel, Sarshad Aishe A., Atanassov Ilian, Hällberg B. Martin, Rorbach Joanna. . GTPBP8 plays a role in mitoribosome formation in human mitochondria Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 581.57 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart