Job #326 - vc1784

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name 2 Coumarinate
2D and 3D depictions 2D Depiction of vc1784 3D Depiction of vc1784
SMILES O=C(O)/C=C\c1ccccc1O
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 Agapanthagenin
2D and 3D depictions 2D Depiction of vc1784 3D Depiction of vc1784
SMILES CC1CCC6(OC1)OC5CC4C3CCC2(O)CC(O)C(O)CC2(C)C3CCC4(C)C5C6C
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10