Table 1. Summary of inhibition constants... | Rockefeller University Press

Table 1.

Summary of inhibition constants and structures of the compounds synthesized and tested as well as docking MM-GBSA scores

Structure	K_i (µM)	MM-GBSA
1	553 ± 50	−16.06
2b	919 ± 174	−27.81
3b	1,480 ± 146	−21.05
4b	771 ± 213	−22.05
5b	647 ± 87	−33.93
6b	NA	−30.82
7b	NA	−29.44
8b	889 ± 226	−31.65
9b	841 ± 80	−31.09
10b	642 ± 64	−35.44
11b	414 ± 40	−41.85
12b	309 ± 82	−38.13
13b	410 ± 356	−34.29
14b	418 ± 187	−39.95
15b	267 ± 82	−44.47
16b	8.07 ± 4	−45.70

Structure	K_i (µM)	MM-GBSA
1	553 ± 50	−16.06
2b	919 ± 174	−27.81
3b	1,480 ± 146	−21.05
4b	771 ± 213	−22.05
5b	647 ± 87	−33.93
6b	NA	−30.82
7b	NA	−29.44
8b	889 ± 226	−31.65
9b	841 ± 80	−31.09
10b	642 ± 64	−35.44
11b	414 ± 40	−41.85
12b	309 ± 82	−38.13
13b	410 ± 356	−34.29
14b	418 ± 187	−39.95
15b	267 ± 82	−44.47
16b	8.07 ± 4	−45.70

NA, not assessed.