Job #104 - 4-Drugs-Combination

Created at: Last updated at: Current status:


See Detailed Output Download CSV

 Overall Progress
99.485%
 Ligand Models 1
Name Saquinavir
2D and 3D depictions 2D Depiction of 4-Drugs-Combination 3D Depiction of 4-Drugs-Combination
SMILES CC(C)(C)NC(=O)[C@@H]2C[C@@H]1CCCC[C@@H]1CN2C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c5ccc4ccccc4n5
Model downloads
Fingerprints
 Ligand Models 2
Name Bictegravir
2D and 3D depictions 2D Depiction of 4-Drugs-Combination 3D Depiction of 4-Drugs-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
Model downloads
Fingerprints
 Ligand Models 3
Name Ledipasvir
2D and 3D depictions 2D Depiction of 4-Drugs-Combination 3D Depiction of 4-Drugs-Combination
SMILES COC(=O)N[C@H](C(=O)N2CC1(CC1)C[C@H]2c%10nc(c9ccc8c7ccc(c6ccc5[nH]c([C@@H]4[C@H]3CC[C@H](C3)N4C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c6)cc7C(F)(F)c8c9)c[nH]%10)C(C)C
Model downloads
Fingerprints
 Ligand Models 4
Name Oseltamivir
2D and 3D depictions 2D Depiction of 4-Drugs-Combination 3D Depiction of 4-Drugs-Combination
SMILES CCOC(=O)/C1=C/C(OC(CC)CC)C(NC(C)=O)C(N)C1
Model downloads
Fingerprints