Job #298 - Test3

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Acetaminophen
2D and 3D depictions 2D Depiction of Test3 3D Depiction of Test3
SMILES CC(=O)Nc1ccc(O)cc1
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 Diclofenac
2D and 3D depictions 2D Depiction of Test3 3D Depiction of Test3
SMILES O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl
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 Morphine
2D and 3D depictions 2D Depiction of Test3 3D Depiction of Test3
SMILES CN4CCC23c1c5ccc(O)c1OC2C(O)/C=C\C3C4C5
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 Fentanyl
2D and 3D depictions 2D Depiction of Test3 3D Depiction of Test3
SMILES CCC(=O)N(c1ccccc1)C3CCN(CCc2ccccc2)CC3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10