Job #193 - CB2_compounds

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name WIN55212-2
2D and 3D depictions 2D Depiction of CB2_compounds 3D Depiction of CB2_compounds
SMILES Cc4c(C(=O)c1cccc2ccccc12)c6cccc5OCC(CN3CCOCC3)n4c56
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 PY1-61
2D and 3D depictions 2D Depiction of CB2_compounds 3D Depiction of CB2_compounds
SMILES CCN(CC)c3ccc(C(NC(=O)Cc1ccccc1)NC(=O)Cc2ccccc2)cc3
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 PY2-64
2D and 3D depictions 2D Depiction of CB2_compounds 3D Depiction of CB2_compounds
SMILES CCN(CC)c3ccc(CN(c1ccc(C)cc1)S(=O)(=O)c2ccc(OC)cc2)cc3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10