| Comps. Code | Hits obtained from R group variation (Combiglide hits) | Interaction Fingerprints | |||||
|---|---|---|---|---|---|---|---|
| R1 | R2 | Structure | XP gscore | SIFT Any Contact | SIFT Sidechain Interaction |
SIFT HBaccept |
|
| 355682- ASINEX (Template Molecule) |
-H | -H |  |
-12.9541 | 2 | 2 | 0 |
| 355682- ASINEX_1 |
-NH2 | -C6H5 |  |
-14.230 | 3 | 3 | 0 |
| 355682- ASINEX_2 |
-NH2 | -COCH3 |  |
-14.108 | 3 | 3 | 0 |
| 355682- ASINEX_3 |
-OH | -CSCH3 |  |
-13.948 | 3 | 3 | 0 |
| 355682- ASINEX_4 |
-OH | -COCH3 |  |
-13.926 | 2 | 2 | 0 |
| 355682- ASINEX_5 |
-Cl | -OCH3 |  |
-13.913 | 3 | 3 | 0 |
| 355682- ASINEX_6 |
-OCH3 | -CONH2 |  |
-13.790 | 3 | 3 | 0 |
| 355682- ASINEX_7 |
-OH | -OCH3 |  |
-13.720 | 2 | 2 | 0 |
| 355682- ASINEX_8 |
-CONH2 | -C2H5 |  |
-13.706 | 3 | 3 | 1 |
| 355682- ASINEX_9 |
-NH2 | -OCH3 |  |
-13.705 | 3 | 3 | 1 |
| 355682- ASINEX_10 |
-CH3 | -H |  |
-13.698 | 3 | 3 | 0 |
| 355682- ASINEX_11 |
-Cl | -OH |  |
-13.615 | 2 | 2 | 0 |
| 355682- ASINEX_12 |
-OCH3 | -CH3 |  |
-13.588 | 2 | 2 | 0 |
| 355682- ASINEX_13 |
-CH3 | -CSCH3 |  |
-13.558 | 3 | 3 | 0 |
| 355682- ASINEX_14 |
-NH2 | -OH |  |
-13.527 | 2 | 2 | 0 |
| 355682- ASINEX_15 |
-CONH2 | -OCH3 |  |
-13.509 | 2 | 2 | 0 |
| 355682- ASINEX_16 |
-CONH2 | -CSCH3 |  |
-13.432 | 2 | 2 | 0 |
| 355682- ASINEX_17 |
-Cl | -C6H5 |  |
-13.329 | 2 | 2 | 0 |
| 355682- ASINEX_18 |
-C2H5 | -C6H5 |  |
-13.234 | 2 | 2 | 0 |
| 355682- ASINEX_19 |
-C2H5 | -CSCH3 |  |
-13.217 | 2 | 2 | 0 |
| 355682- ASINEX_20 |
-NH2 | -H |  |
-13.115 | 3 | 3 | 0 |
| 355682- ASINEX_21 |
-NH2 | -CONH2 |  |
-13.052 | 3 | 3 | 0 |
| 355682- ASINEX_22 |
-NH2 | -C2H5 |  |
-13.019 | 3 | 3 | 0 |