Job #260 - 1

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Tanshinol
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=C(O)C(O)Cc1ccc(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
 Ligand Models 2
Name Salvianolic acid B
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES O=C(/C=C/c3ccc(O)c4O[C@@H](c1ccc(O)c(O)c1)[C@H](C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)c34)O[C@H](Cc5ccc(O)c(O)c5)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 3
Name Rutin
2D and 3D depictions 2D Depiction of 1 3D Depiction of 1
SMILES CC5OC(OCC4OC(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)C(O)C(O)C4O)C(O)C(O)C5O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10