Job #154 - 5-Drug Combiantion

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Dihydrocodeine
2D and 3D depictions 2D Depiction of 5-Drug Combiantion 3D Depiction of 5-Drug Combiantion
SMILES COc1ccc2C[C@@H]5[C@@H]3CCC(O)[C@@H]4Oc1c2[C@]34CCN5C
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 Oxycodone
2D and 3D depictions 2D Depiction of 5-Drug Combiantion 3D Depiction of 5-Drug Combiantion
SMILES COc2ccc1C[C@H]4N(C)CC[C@]35c1c2O[C@H]3C(=O)CC[C@@]45O
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 Diclofenac
2D and 3D depictions 2D Depiction of 5-Drug Combiantion 3D Depiction of 5-Drug Combiantion
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 Codeine
2D and 3D depictions 2D Depiction of 5-Drug Combiantion 3D Depiction of 5-Drug Combiantion
SMILES COc1ccc2C[C@@H]5[C@@H]3/C=C\[C@H](O)[C@@H]4Oc1c2[C@]34CCN5C
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 5
Name Morphine
2D and 3D depictions 2D Depiction of 5-Drug Combiantion 3D Depiction of 5-Drug Combiantion
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