Job #300 - test5

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 test5 3D Depiction of test5
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 Diclophenac
2D and 3D depictions 2D Depiction of test5 3D Depiction of test5
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 test5 3D Depiction of test5
SMILES CN4CC[C@]23c1c5ccc(O)c1O[C@H]2[C@@H](O)/C=C\[C@H]3[C@H]4C5
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 test5 3D Depiction of test5
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