Table 3.
Rank | Pubchem CID | Compound name | Glide gscore |
---|---|---|---|
1 | 31703 | Doxorubicin | −8.062 |
2 | 30323 | Daunorubicin | −8.018 |
3 | 3306 | Etilefrine | −6.63 |
4 | 107715 | Dihydroergocristine | −6.512 |
5 | 6047 | Levodopa | −6.132 |
6 | 4539 | Norfloxacin | −5.891 |
7 | 54671203 | Doxycycline | −5.578 |
8 | 24360 | Camptothecin | −5.507 |
9 | 4855 | Piromidic Acid | −5.357 |
10 | 5311498 | Cyanocobalamin | −4.993 |
Native ligand | 137349240 | 3-Azanyl-5-(Azepan-1-Yl)-N-Carbamimidoyl-6-(Furan-2-Yl)Pyrazine-2-Carboxamide | −7.457 |