Job #235 - 3 drugs

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Ebselen
2D and 3D depictions 2D Depiction of 3 drugs 3D Depiction of 3 drugs
SMILES O=c2c1ccccc1sn2c3ccccc3
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 Shikonin
2D and 3D depictions 2D Depiction of 3 drugs 3D Depiction of 3 drugs
SMILES C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=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 3
Name Tideglusib
2D and 3D depictions 2D Depiction of 3 drugs 3D Depiction of 3 drugs
SMILES O=c3sn(c1cccc2ccccc12)c(=O)n3Cc4ccccc4
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10