Job #299 - test4

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name Morphine
2D and 3D depictions 2D Depiction of test4 3D Depiction of test4
SMILES Oc2ccc1CC4NCCC35c1c2OC3C(O)/C=C\C45
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 Acetaminophen
2D and 3D depictions 2D Depiction of test4 3D Depiction of test4
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 3
Name Diclophenac
2D and 3D depictions 2D Depiction of test4 3D Depiction of test4
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 4
Name Fentanyl
2D and 3D depictions 2D Depiction of test4 3D Depiction of test4
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