Strategy

Compound ID

% Activity (std dev)a

Docking-based virtual screening initially target to find inhibitors

ZINC9675996/C350-0522e

558.13 (16.26)

ZINC33356851/C066-2421e

424.54 (55)

ZINC33114735/L112-0668b,c,e

519.25 (163.12)

ZINC33114747/L112-0688

121.28 (11.47)

ZINC33114766/L112-0725e

525.03 (87.55)

ZINC33274075/L112-0728b,c,e

467.42 (27.19)

ZINC33114768/L112-0731b,c,e

509.10 (11.24)

ZINC44167520/L483-0323c

230.74 (0.14)

ZINC64474040/L485-2669b,c,e

442.42 (37.77)

ZINC65034429/L485-2761c

151.49 (9.85)

ZINC33298643/M056-0726c

131.66 (0.94)

Similarity

ZINC33274076/L112-0729d

191.42 (31.99)

ZINC64474058/L485-2687d

243.27 (66.66)

ZINC64474109/L485-2777d

672.64 (88.83)

ZINC33114760/L112-0716d

221.10 (12.35)

ZINC33114754/L112-0706d

250.28 (12.49)

ZINC33274072/L112-0698d

334.73 (12.88)

ZINC21146903/3909-9992d

95.85 (0.29)

ZINC20103984/C066-0242d

94.04 (6.09)

ZINC34921986/V011-9764d

71.16 (2.06)