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. 2024 Mar 11;13(3):252. doi: 10.3390/antibiotics13030252

Table 1.

Statistics on compounds categorized as PAINS and Brenk in all four enzyme datasets.

PAINS Brenk
Enzyme Activity No. Percent [%] No. Percent [%]
FabI Active 30 7.1 175 12.4
Inactive 18 1.3 76 5.4
FabK Active 0 0 2 0.1
Inactive 0 10.0 1 0.1
FabV Active 1 0.1 2 0.1
Inactive 1 0.1 7 0.5
InhA Active 6 0.4 78 5.5
Inactive 69 4.9 307 21.7