Job #318 - Job 1

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Cocaine
2D and 3D depictions 2D Depiction of Job 1 3D Depiction of Job 1
SMILES CN1C3CCC1C(C(=O)O)C(OC(=O)c2ccccc2)C3
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 Tramadol
2D and 3D depictions 2D Depiction of Job 1 3D Depiction of Job 1
SMILES COc2cccc(C1(O)CCCCC1CN(C)C)c2
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10