Job #118 - 5-Drug-Combination

Created at: Last updated at: Current status:


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 Overall Progress
100.000%
 Ligand Models 1
Name Bictegravir
2D and 3D depictions 2D Depiction of 5-Drug-Combination 3D Depiction of 5-Drug-Combination
SMILES O=C(NCc1c(F)cc(F)cc1F)c5cn4C[C@H]3O[C@@H]2CC[C@@H](C2)N3C(=O)c4c(O)c5=O
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 Ligand Models 2
Name Remdesivir
2D and 3D depictions 2D Depiction of 5-Drug-Combination 3D Depiction of 5-Drug-Combination
SMILES CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@H]3O[C@@](C#N)(c1ccc2c(N)ncnn12)[C@H](O)[C@@H]3O)Oc4ccccc4
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 Ligand Models 3
Name Glimepiride
2D and 3D depictions 2D Depiction of 5-Drug-Combination 3D Depiction of 5-Drug-Combination
SMILES CC/C3=C(C)/CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]1CC[C@H](C)CC1)cc2)C3=O
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 Ligand Models 4
Name Fedratinib
2D and 3D depictions 2D Depiction of 5-Drug-Combination 3D Depiction of 5-Drug-Combination
SMILES Cc3cnc(Nc2ccc(OCCN1CCCC1)cc2)nc3Nc4cccc(S(=O)(=O)NC(C)(C)C)c4
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 Ligand Models 5
Name Oseltamivir
2D and 3D depictions 2D Depiction of 5-Drug-Combination 3D Depiction of 5-Drug-Combination
SMILES CCOC(=O)/C1=C/C(OC(CC)CC)C(NC(C)=O)C(N)C1
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