Job #320 - Job 3

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Heroin
2D and 3D depictions 2D Depiction of Job 3 3D Depiction of Job 3
SMILES CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C
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 Cocaine
2D and 3D depictions 2D Depiction of Job 3 3D Depiction of Job 3
SMILES COC(=O)C2C(OC(=O)c1ccccc1)CC3CCC2N3C
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10