Job #280 - RG_COVID

Created at: Last updated at: Current status:

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 Overall Progress
97.317%
 Ligand Models 1
Name MOLECULE 78
2D and 3D depictions 2D Depiction of RG_COVID 3D Depiction of RG_COVID
SMILES O=C(OCC7OC(n5c(=O)n(c1ccccc1)c(=O)c4c(c2ccco2)cc(c3ccccc3)nc45)C(OC(=O)c6ccccc6)C7OC(=O)c8ccccc8)c9ccccc9
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 MOLECULE 20
2D and 3D depictions 2D Depiction of RG_COVID 3D Depiction of RG_COVID
SMILES Nc2c(S(=O)(=O)O)cc1cc(S(=O)(=O)O)ccc1c2/N=N/c6ccc(c5ccc(/N=N/c3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c5)cc6S(=O)(=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