Job #387 - Drug combination for HCV treatment

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Brequinar
2D and 3D depictions 2D Depiction of Drug combination for HCV treatment 3D Depiction of Drug combination for HCV treatment
SMILES Cc4c(c2ccc(c1ccccc1F)cc2)nc3ccc(F)cc3c4C(=O)O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10
 Ligand Models 2
Name Niclosamide
2D and 3D depictions 2D Depiction of Drug combination for HCV treatment 3D Depiction of Drug combination for HCV treatment
SMILES O=C(Nc1ccc(N(=O)=O)cc1Cl)c2cc(Cl)ccc2O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10
 Ligand Models 3
Name Sofosbuvir
2D and 3D depictions 2D Depiction of Drug combination for HCV treatment 3D Depiction of Drug combination for HCV treatment
SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]2O[C@@H](n1ccc(=O)[nH]c1=O)[C@](C)(F)[C@@H]2O)Oc3ccccc3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10