Job #259 - 1

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Rosmarinic acid
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc2ccc(O)c(O)c2)C(=O)O
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 Hyperoside
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=c3c(OC1OC(CO)C(O)C(O)C1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34
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 Quercetin
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23
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 Luteolin
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=c2cc(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23
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 protocatechuic acid
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=C(O)c1ccc(O)c(O)c1
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10