HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PCY

Identifiers

  • Canonical SMILES: 
    C[C@H](O)[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2cccc(c2)C(C)=O)[C@](O)(COC(=O)c3c(C)cccc3O)[C@]1(C)O
  • IUPAC name: 
    {(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[(dimethylcarbamoyl)amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl}methyl 2-hydroxy-6-methylbenzoate
  • InChi: 
    InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1
  • InChiKey: 
    WVIUOSJLUCTGFK-JUJPXXQGSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5289124 CHEMBL458512

RNA-SM complexes

PDB code Deposition date Reference publication
1hnx Dec. 8, 2000 Brodersen Ditlev E., Clemons William M., Carter Andrew P., Morgan-Warren Robert J., Wimberly Brian T., Ramakrishnan V.. . The Structural Basis for the Action of the Antibiotics Tetracycline, Pactamycin, and Hygromycin B on the 30S Ribosomal Subunit Cell
4khp May 1, 2013 Tourigny David S., Fernández Israel S., Kelley Ann C., Vakiti Ramkrishna Reddy, Chattopadhyay Amit Kumar, Dorich Stéphane, Hanessian Stephen, Ramakrishnan V.. . Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit Journal of Molecular Biology
4u4y July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u4y July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4w2g Sept. 12, 2014 Polikanov Yury S., Osterman Ilya A., Szal Teresa, Tashlitsky Vadim N., Serebryakova Marina V., Kusochek Pavel, Bulkley David, Malanicheva Irina A., Efimenko Tatyana A., Efremenkova Olga V., Konevega Andrey L., Shaw Karen J., Bogdanov Alexey A., Rodnina Marina V., Dontsova Olga A., Mankin Alexander S., Steitz Thomas A., Sergiev Petr V.. . Amicoumacin A Inhibits Translation by Stabilizing mRNA Interaction with the Ribosome Molecular Cell
4w2g Sept. 12, 2014 Polikanov Yury S., Osterman Ilya A., Szal Teresa, Tashlitsky Vadim N., Serebryakova Marina V., Kusochek Pavel, Bulkley David, Malanicheva Irina A., Efimenko Tatyana A., Efremenkova Olga V., Konevega Andrey L., Shaw Karen J., Bogdanov Alexey A., Rodnina Marina V., Dontsova Olga A., Mankin Alexander S., Steitz Thomas A., Sergiev Petr V.. . Amicoumacin A Inhibits Translation by Stabilizing mRNA Interaction with the Ribosome Molecular Cell
4w2h Sept. 12, 2014 Polikanov Yury S., Osterman Ilya A., Szal Teresa, Tashlitsky Vadim N., Serebryakova Marina V., Kusochek Pavel, Bulkley David, Malanicheva Irina A., Efimenko Tatyana A., Efremenkova Olga V., Konevega Andrey L., Shaw Karen J., Bogdanov Alexey A., Rodnina Marina V., Dontsova Olga A., Mankin Alexander S., Steitz Thomas A., Sergiev Petr V.. . Amicoumacin A Inhibits Translation by Stabilizing mRNA Interaction with the Ribosome Molecular Cell
4w2h Sept. 12, 2014 Polikanov Yury S., Osterman Ilya A., Szal Teresa, Tashlitsky Vadim N., Serebryakova Marina V., Kusochek Pavel, Bulkley David, Malanicheva Irina A., Efimenko Tatyana A., Efremenkova Olga V., Konevega Andrey L., Shaw Karen J., Bogdanov Alexey A., Rodnina Marina V., Dontsova Olga A., Mankin Alexander S., Steitz Thomas A., Sergiev Petr V.. . Amicoumacin A Inhibits Translation by Stabilizing mRNA Interaction with the Ribosome Molecular Cell

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 558.62 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart