Structural analogs of the most potent hit compounds (compounds 5 and 11) obtained after the first screening.

<p>MACCS structural keys system (BIT_packed) and the Tanimoto coefficient were used as fingerprint system and similarity metric, respectively. The table summarizes, for each compound, the ZINC-code, the Ambinter-code, the molecular weight, the experimental IC₅₀, K_i and/or Ki′values, the BE, and the inhibition profile. n.d., not determined.