Table 4

More # of 2-degree cyclic atoms, degree of cyclization and # of non-H polar bonds could increase the potency of HIV Reverse Transcriptase Inhibitors.

Precursor

Structure

pKi


#5

log(1/EC50): 8.3

+ 3.88% (× 27.2)


#5

log(1/EC50): 8.3

+ 3.77% (× 26.8)


#5

log(1/EC50): 8.3

+ 3.39% (× 26.4)


#5

log(1/EC50): 8.3

+ 3.39% (× 26.3)


#5

log(1/EC50): 8.3

+ 3.36% (× 26.3)


#5

log(1/EC50): 8.3

+ 3.31% (× 26.6)


#5

log(1/EC50): 8.3

+ 3.32% (× 26.3)


Liu et al. BMC Bioinformatics 2011 12:294   doi:10.1186/1471-2105-12-294

Open Data