Job #147 - Etoricoxib+Indomethacin

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Etoricoxib
2D and 3D depictions 2D Depiction of Etoricoxib+Indomethacin 3D Depiction of Etoricoxib+Indomethacin
SMILES Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3
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 Indomethacin
2D and 3D depictions 2D Depiction of Etoricoxib+Indomethacin 3D Depiction of Etoricoxib+Indomethacin
SMILES COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10