Results for job: Drug_NAI
Downloadable Files
Ranking-top10 molecules
| Rank | Name | Score | Poses |
| 1 | Zanamivir | 77.26 | Pose |
| 2 | Peramivir | 52.14 | Pose |
| 3 | Ribostamycin | 45.48 | Pose |
| 4 | Oseltamivir | 42.38 | Pose |
| 5 | Alitretinoin | 38.72 | Pose |
| 6 | Nalidixic acid | 36.34 | Pose |
| 7 | Vincristine | 36.33 | Pose |
| 8 | Metrizoic acid | 35.84 | Pose |
| 9 | Colchicine | 34.87 | Pose |
| 10 | Nedocromil | 34.80 | Pose |
Top 10 Molecular Structures
Rank 1
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Zanamivir
Score: 77.26
Rank 2
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Peramivir
Score: 52.14
Rank 3
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Ribostamycin
Score: 45.48
Rank 4
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Oseltamivir
Score: 42.38
Rank 5
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Alitretinoin
Score: 38.72
Rank 6
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Nalidixic acid
Score: 36.34
Rank 7
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Vincristine
Score: 36.33
Rank 8
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Metrizoic acid
Score: 35.84
Rank 9
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Colchicine
Score: 34.87
Rank 10
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Nedocromil
Score: 34.80
Interactions
Hydrogen Bond
Halogen Bond
Pi-Stacking
Pi-Cation
Hydrophobic Interaction
Salt Bridge
| Residue | Chain | Atom on Protein | Is Acceptor | Atom on Ligand |
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| Residue | Chain | Atom on Protein | Is Acceptor | Atom on Ligand |
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| Residue | Chain | Atom on Protein | Atom on Ligand |
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