Job #438 - wep27

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name 3b
2D and 3D depictions 2D Depiction of wep27 3D Depiction of wep27
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 2
Name 3a
2D and 3D depictions 2D Depiction of wep27 3D Depiction of wep27
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
 Ligand Models 3
Name 3c
2D and 3D depictions 2D Depiction of wep27 3D Depiction of wep27
SMILES CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(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