Job #443 - wep32

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name 4a
2D and 3D depictions 2D Depiction of wep32 3D Depiction of wep32
SMILES CC(=O)c2c(O)c(Cc1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O)c(O)c(C(C)=O)c2O
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 4b
2D and 3D depictions 2D Depiction of wep32 3D Depiction of wep32
SMILES CC(C)C(=O)c2c(O)c(Cc1c(O)c(C(=O)C(C)C)c(O)c(C(=O)C(C)C)c1O)c(O)c(C(=O)C(C)C)c2O
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 3b
2D and 3D depictions 2D Depiction of wep32 3D Depiction of wep32
SMILES CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O
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 4c
2D and 3D depictions 2D Depiction of wep32 3D Depiction of wep32
SMILES CC(C)CC(=O)c2c(O)c(Cc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O)c(O)c(C(=O)CC(C)C)c2O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10