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List of compound identity, chemical name, and two-dimensional (2D) structure of selected best four ligands and nolatrexed (control).
| No | Compound ID | Chemical Formula | 2D Structure | Score (Kcal/mol) |
|---|---|---|---|---|
| 1 | CID:102004710 | 18-Beta-hydroxy-3-epi-alpha-yohimbine |
|
−8.8 |
| 2 | CID:198912 | 1-(3-Methylphenyl)-2,3,4,9-tetrahydro-1H-β-carboline |
|
−8.7 |
| 3 | CID:11969465 | Marinobufagenin |
|
−8.7 |
| 4 | CID:5281349 | Apparicine |
|
−8.6 |
| 5 | PubChem CID:135400184 |
Nolatrexed |
|
−7.4 |
