Job #175 - SARS2v5

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Bazedoxifene
2D and 3D depictions 2D Depiction of SARS2v5 3D Depiction of SARS2v5
SMILES Cc4c(c1ccc(O)cc1)n(Cc3ccc(OCCN2CCCCCC2)cc3)c5ccc(O)cc45
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 Ivacaftor
2D and 3D depictions 2D Depiction of SARS2v5 3D Depiction of SARS2v5
SMILES CC(C)(C)c3cc(C(C)(C)C)c(NC(=O)c2c[nH]c1ccccc1c2=O)cc3O
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 Niclosamide
2D and 3D depictions 2D Depiction of SARS2v5 3D Depiction of SARS2v5
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 4
Name Eltrombopag
2D and 3D depictions 2D Depiction of SARS2v5 3D Depiction of SARS2v5
SMILES Cc4ccc(n3nc(C)c(=NNc2cccc(c1cccc(C(=O)O)c1)c2O)c3=O)cc4C
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10