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Job #442 - wep31

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	4a
2D and 3D depictions
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
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
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
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

Ligand Models 5

Name	3a
2D and 3D depictions
SMILES	CC(=O)c1c(O)cc(O)c(C(C)=O)c1O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10