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Druggability of Cavity Pockets within SARS-CoV-2 Spike Glycoprotein and Pharmacophore-based Drug Discovery

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posted on 2021-06-01, 09:31 authored by Alireza Mohebbi, Ali Salehnia Sammak, Mohsen Ebrahimi, Zahra Najafi Memar, Fatemeh Sana Askari

Graphical abstract

Table S1. Chemical descriptors of 10 derivatives of Compound 38

Table S2. The neighboring amino acid residues of the cavity number 10.

Library. SMILES of 10 derivatives of Compound 38

Hits. SDF format of 410 hits obtained from virtual screening