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Top Molecules
| Target | Dock Score | Generic Name | Binding Energy | DBID |
|---|---|---|---|---|
| qhd43415_3 | 1 | HTB2079 | -24.70 | HTB2079 |
| qhd43415_3 | 2 | HTB1218 | -24.00 | HTB1218 |
| qhd43415_3 | 3 | HTB1894 | -23.70 | HTB1894 |
| qhd43415_3 | 4 | HTB1930 | -23.10 | HTB1930 |
| qhd43415_3 | 5 | HTB0576 | -22.90 | HTB0576 |
| qhd43415_3 | 6 | L-4(g) | -22.50 | HTB3159 |
| qhd43415_3 | 7 | HTB0323 | -22.40 | HTB0323 |
| qhd43415_3 | 8 | HTB0574 | -22.10 | HTB0574 |
| qhd43415_3 | 9 | HTB1525 | -22.00 | HTB1525 |
| qhd43415_3 | 10 | HTB1444 | -21.80 | HTB1444 |
| qhd43415_3 | 11 | HTB2693 | -21.50 | HTB2693 |
| qhd43415_3 | 12 | HTB1516 | -21.20 | HTB1516 |
| qhd43415_3 | 13 | HTB2015 | -20.90 | HTB2015 |
| qhd43415_3 | 14 | HTB1922 | -20.80 | HTB1922 |
| qhd43415_3 | 15 | HTB2047 | -20.30 | HTB2047 |
| qhd43415_2 | 16 | ECO-13_RANJAN | -19.90 | HTB3343 |
| qhd43415_3 | 17 | HTB2496 | -19.20 | HTB2496 |
| qhd43415_3 | 18 | HTB2089 | -19.00 | HTB2089 |
| qhd43415_3 | 19 | HTB0933 | -18.90 | HTB0933 |
| qhd43415_4 | 20 | ECO-13_RANJAN | -18.90 | HTB3343 |
Matrix of Top 50 Compounds
| 6nur | 6vsb | qhd43415_2 | qhd43415_3 | qhd43415_4 | |||
|---|---|---|---|---|---|---|---|
| ECO-13_RANJAN |
ECO-13_RANJAN ECO-13_RANJAN ECO-13_RANJAN |
-19.90 DS 1 |
-18.80 DS 19 |
-18.90 DS 1 |
qhd43415_2 qhd43415_4 qhd43415_3 |
||
| HTB0077 |
HTB0077 |
-17.60 DS 27 |
qhd43415_3 |
||||
| HTB0323 |
HTB0323 |
-22.40 DS 7 |
qhd43415_3 |
||||
| HTB0392 |
HTB0392 |
-18.00 DS 26 |
qhd43415_3 |
||||
| HTB0574 |
HTB0574 |
-22.10 DS 8 |
qhd43415_3 |
||||
| HTB0576 |
HTB0576 HTB0576 |
-22.90 DS 5 |
-17.40 DS 10 |
qhd43415_3 qhd43415_4 |
|||
| HTB0754 |
HTB0754 |
-18.30 DS 23 |
qhd43415_3 |
||||
| HTB0933 |
HTB0933 |
-18.90 DS 18 |
qhd43415_3 |
||||
| HTB1182 |
HTB1182 HTB1182 |
-18.40 DS 22 |
-17.90 DS 7 |
qhd43415_3 qhd43415_4 |
|||
| HTB1218 |
HTB1218 HTB1218 |
-24.00 DS 2 |
-18.50 DS 3 |
qhd43415_3 qhd43415_4 |
|||
| HTB1374 |
HTB1374 |
-18.50 DS 20 |
qhd43415_3 |
||||
| HTB1444 |
HTB1444 HTB1444 |
-21.80 DS 10 |
-18.60 DS 2 |
qhd43415_3 qhd43415_4 |
|||
| HTB1516 |
HTB1516 |
-21.20 DS 12 |
qhd43415_3 |
||||
| HTB1525 |
HTB1525 HTB1525 |
-22.00 DS 9 |
-18.10 DS 5 |
qhd43415_3 qhd43415_4 |
|||
| HTB1786 |
HTB1786 |
-18.50 DS 21 |
qhd43415_3 |
||||
| HTB1850 |
HTB1850 |
-17.40 DS 28 |
qhd43415_3 |
||||
| HTB1891 |
HTB1891 |
-18.20 DS 24 |
qhd43415_3 |
||||
| HTB1894 |
HTB1894 HTB1894 |
-23.70 DS 3 |
-17.40 DS 11 |
qhd43415_3 qhd43415_4 |
|||
| HTB1922 |
HTB1922 HTB1922 |
-17.40 DS 4 |
-20.80 DS 14 |
qhd43415_3 6vsb |
|||
| HTB1930 |
HTB1930 |
-23.10 DS 4 |
qhd43415_3 |
||||
| HTB2015 |
HTB2015 HTB2015 |
-17.70 DS 2 |
-20.90 DS 13 |
qhd43415_3 6vsb |
|||
| HTB2047 |
HTB2047 |
-20.30 DS 15 |
qhd43415_3 |
||||
| HTB2079 |
HTB2079 HTB2079 HTB2079 |
-17.50 DS 3 |
-24.70 DS 1 |
-18.10 DS 6 |
qhd43415_3 qhd43415_4 6vsb |
||
| HTB2089 |
HTB2089 HTB2089 HTB2089 HTB2089 HTB2089 |
-17.50 DS 2 |
-18.70 DS 1 |
-18.50 DS 2 |
-19.00 DS 17 |
-17.70 DS 9 |
qhd43415_3 6vsb qhd43415_2 qhd43415_4 6nur |
| HTB2487 |
HTB2487 HTB2487 |
-17.60 DS 5 |
-18.10 DS 25 |
qhd43415_3 qhd43415_2 |
|||
| HTB2496 |
HTB2496 HTB2496 HTB2496 |
-17.50 DS 1 |
-18.10 DS 3 |
-19.20 DS 16 |
qhd43415_3 qhd43415_2 6nur |
||
| HTB2693 |
HTB2693 HTB2693 |
-21.50 DS 11 |
-18.20 DS 4 |
qhd43415_3 qhd43415_4 |
|||
| L-4(g) |
L-4(g) L-4(g) L-4(g) |
-17.80 DS 4 |
-22.50 DS 6 |
-17.90 DS 8 |
qhd43415_3 qhd43415_4 qhd43415_2 |
