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. 2021 Feb 9;19:1263–1276. doi: 10.1016/j.csbj.2021.01.046

Table 3.

The results of molecular docking.

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