LIZA-7   Click here for help

GtoPdb Ligand ID: 12199

Synonyms: 5'-azido-5'-deoxy-thymidine
Compound class: Synthetic organic
Comment: LIZA-7 is a thymidine analogue. It has been found to interact with an allosteric site on the SARS-CoV-2 Nsp15 endoribonuclease [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 96.68
Molecular weight 267.1
XLogP -0.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [N-]=[N+]=NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Isomeric SMILES Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CN=[N+]=[N-])O
InChI InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
InChI Key GKEHVJFBPNPCKI-XLPZGREQSA-N
References
1. Godoy AS, Nakamura AM, Douangamath A, Song Y, Noske GD, Gawriljuk VO, Fernandes RS, Pereira HDM, Oliveira KIZ, Fearon D et al.. (2022)
Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
bioRxiv, Preprint. DOI: 10.1101/2022.09.26.509485