Table 3.
SI values of the target compounds.
| Compd. | SI (RF)a |
||||||
|---|---|---|---|---|---|---|---|
| L100I | K103N | Y181C | Y188L | E138K | F227L+ V106A |
RES056 | |
| R1L2 | 247 (15.3) | 404 (9.4) | 274 (13.8) | 26 (144.8) | 197 (19.2) | 96 (39.6) | 50 (76.4) |
| R1L3 | 308 (14.9) | 231 (19.8) | 142 (32.2) | 24 (194.6) | 833 (5.5) | 134 (34.3) | 28 (162.5) |
| R1L4 | 637 (5.1) | 332 (9.7) | 327 (9.9) | 68 (47.4) | 770 (4.2) | 333 (9.7) | <1 (>3232) |
| R1L5 | 679 (6.1) | 177 (23.5) | 491 (8.5) | 45 (93.1) | 593 (7.0) | 301 (13.8) | <1 (>4159.3) |
| R2L2 | 159 (7.8) | 118 (10.5) | 125 (9.8) | 1 (1232.5) | 95 (13.0) | 67 (18.5) | <1 (>1232.5) |
| R2L3 | 494 (8.8) | 246 (17.7) | 195 (22.3) | 27 (159.7) | 636 (6.9) | 169 (25.8) | <1 (>4354.1) |
| R2L4 | 126 (4.9) | 66 (9.3) | 67 (9.1) | 28 (21.9) | 88 (7.0) | 79 (7.8) | <1 (>615.2) |
| R2L5 | 1172 (4.1) | 196 (24.4) | 546 (8.7) | 86 (55.7) | 846 (5.6) | 391 (12.2) | <1 (>4772.2) |
| R3L2 | >224 (7.9) | >358 (4.9) | >212 (8.3) | 1 (1764.0) | >184 (9.6) | >34 (51.3) | <1 (>1764.0) |
| R3L3 | 65 (7.1) | 32 (14.6) | 22 (20.8) | 7 (66.5) | 74 (6.3) | 13 (35.9) | 5 (99.0) |
| R3L4 | 771 (4.9) | 211 (18.1) | 255 (15.0) | 120 (31.8) | 471 (8.1) | 299 (12.7) | 56 (68.4) |
| R3L5 | 1487 (5.1) | 220 (34.3) | 652 (11.6) | 80 (94.2) | 779 (9.7) | 366 (20.6) | >8 (959.4) |
| R4L2 | 1043 (7.6) | 627 (12.6) | 603 (13.1) | 74 (107.4) | 592 (13.4) | 267 (29.6) | 69 (115.4) |
| R4L3 | 143 (6.3) | 77 (11.7) | 50 (18.0) | 12 (73.4) | 136 (6.6) | 34 (26.8) | 10 (91.7) |
| R4L4 | 3765 (2.8) | 1100 (9.6) | 1038 (10.2) | 167 (63.5) | 3420 (3.1) | 732 (14.5) | <1 (>10593.2) |
| R4L5 | 1929 (3.9) | 278 (27.1) | 776 (9.7) | 86 (87.1) | 1996 (3.8) | 371 (20.3) | ≤5 (>1631.1) |
| R5L2 | 30 (11.9) | 28 (13.0) | 26 (13.7) | 8 (47.0) | 19 (19.2) | 13 (27.0) | 7 (51.5) |
| R5L3 | 70 (10.5) | 24 (30.2) | 23 (31.7) | 7 (108.2) | 81 (9.0) | 19 (39.2) | 6 (132.8) |
| R5L4 | 181 (1.5) | 68 (4.1) | 87 (3.2) | 30 (9.2) | 147 (1.9) | 56 (4.9) | <1 (>278.8) |
| R5L5 | 2657 (2.3) | 365 (16.9) | 955 (6.5) | 121 (51.0) | 1315 (4.7) | 585 (10.5) | 17 (358.4) |
| R6L2 | 198 (4.9) | 159 (6.1) | 150 (6.4) | 4 (≥215.6) | 119 (8.1) | 55 (55.5) | ≤12 (>77.7) |
| R6L3 | 112 (5.7) | 85 (7.6) | 67 (9.6) | 17 (38.5) | 188 (3.4) | 60 (10.8) | <1 (>644,7) |
| R6L4 | 85 (4.1) | 39 (8.9) | 45 (7.7) | 27 (12.9) | 35 (10.0) | 54 (6.5) | <1 (>347.4) |
| R6L5 | 316 (1.6) | 51 (9.8) | 108 (4.7) | 15 (32.7) | 119 (4.2) | 55 (9.0) | <1 (>501.4) |
| R7L2 | 1028 (12.7) | 754 (17.3) | 575 (22.6) | 66 (198.1) | 482 (27.0) | 169 (77.0) | 56 (230.4) |
| R7L3 | 2144 (6.0) | 942 (13.7) | 363 (35.5) | 1097 (11.8) | 352 (36.7) | 80 (160.6) | 23 (552.1) |
| R7L4 | 1215 (8.6) | 676 (15.4) | 482 (21.6) | 58 (177.6) | 1730 (6.0) | 333 (31.2) | <1 (10389.1) |
| R7L5 | 1885 (5.9) | 260 (42.9) | 599 (18.6) | 36 (305.4) | 2255 (4.9) | 311 (35.8) | <1 (11132.1) |
| R8L2 | 201 (7.8) | 136 (11.5) | 161 (9.7) | 26 (60.2) | 135 (11.5) | 89 (17.6) | 35 (44.6) |
| R8L3 | 242 (8.7) | 117 (18.0) | 113 (18.6) | 34 (61.7) | 427 (4.9) | 73 (28.7) | 22 (93.9) |
| R8L4 | 658 (3.0) | 186 (10.5) | 161 (12.1) | 82 (23.8) | 437 (4.5) | 243 (8.0) | <1 (>1952.5) |
| R8L5 | 273 (3.0) | 39 (21.3) | 65 (12.7) | 17 (47.4) | 225 (3.7) | 37 (22.1) | <1 (>823.9) |
| R9L2 | 596 (18.7) | 651 (17.1) | 576 (19.3) | 54 (207.7) | 670 (16.6) | 134 (83.2) | 48 (232.8) |
| R9L3 | 1289 (7.9) | 699 (14.6) | 318 (32.2) | 73 (140.7) | 4026 (2.5) | 275 (37.2) | 47 (217.6) |
| R9L4 | 4137 (3.9) | 777 (20.9) | 754 (21.5) | 131 (124.1) | 3660 (4.4) | 408 (39.8) | <1 (16236.9) |
| R9L5 | 2684 (3.6) | 347 (27.8) | 533 (18.1) | 81 (118.3) | 3417 (2.8) | 554 (17.4) | <1 (>9634.3) |
| R10L2 | 171 (14.0) | 81 (29.4) | 81 (29.5) | 11 (216.8) | 200 (11.9) | 16 (145.9) | 5 (453.8) |
| R10L3 | 551 (11.1) | 289 (21.2) | 268 (22.9) | 24 (258.2) | 1284 (4.8) | 102 (59.9) | 7 (864.4) |
| R10L4 | 13,055 (2.4) | 3189 (9.7) | 4753 (6.6) | 408 (76.9) | 13,123 (2.4) | 2493 (12.6) | 41 (757.2) |
| R10L5 | 1480 (6.8) | 353 (28.7) | 638 (15.9) | 93 (108.8) | 2274 (4.5) | 466 (21.7) | 6 (1594.6) |
| R11L2 | 786 (12.1) | 927 (10.3) | 698 (13.6) | 74 (128.3) | 1051 (9.1) | 162 (58.7) | 65 (145.7) |
| R11L3 | 1188 (9.5) | 704 (16.0) | 320 (35.1) | 27 (411.2) | 2908 (3.9) | 218 (51.5) | 15 (741.0) |
| R11L4 | 3022 (5.3) | 1147 (13.8) | 914 (17.4) | 108 (146.5) | 5223 (3.0) | 678 (23.4) | <1 (15876.6) |
| R12L2 | 403 (13.2) | 374 (14.3) | 333 (16.0) | 56 (95.6) | 420 (12.7) | 82 (65.1) | 37 (142.9) |
| R12L3 | >853 (7.9) | >480 (14.0) | >291 (23.1) | >64 (105.3) | >2002 (3.4) | >220 (30.6) | >46 (147.3) |
| R12L4 | 2735 (4.2) | 734 (15.7) | 910 (12.6) | 119 (97.1) | 3553 (3.2) | 712 (16.2) | <1 (>11508.5) |
| R13L2 | 3205 (12.9) | 1503 (26.8) | 972 (43.9) | 104 (347.1) | 3155 (13.4) | 343 (105.6) | 5 (6867.5) |
| R14L2 | 87 (4.9) | 69 (6.2) | 58 (7.3) | 3 (≥161.2) | 112 (3.8) | 28 (15.5) | <1 (>425.6) |
| NVP | >7 (15.2) | >2 (64.0) | 1 (>114.2) | <1 (>114.2) | >100 (1.1) | 1 (>114.2) | <1 (>114.2) |
| EFV | >191 (8.5) | >61 (26.6) | >860 (1.9) | >23 (70.0) | >876 (1.9) | >24 (69.0) | >13 (124.9) |
| ETR | >140 (2.9) | >320 (1.3) | >81 (5.1) | >56 (7.4) | >127 (3.3) | >52 (7.9) | >30 (13.8) |
| IAS-4 | 1396 (8.9) | 1172 (10.6) | 263 (47.2) | 117 (105.7) | 1640 (7.54) | 285 (43.4) | 9 (1405.7) |
| IAS-0 | 279 (7.3) | 131 (15.7) | 97 (21.1) | 3 (593.9) | 377 (5.4) | 54 (≥38.5) | ≤3 (≥832.6) |
a
RF is the ratio of EC50 (resistant viral strain)/EC50 (wild-type viral strain).