Job #330 - vc17

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 vc17 3D Depiction of vc17
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 3
2D and 3D depictions 2D Depiction of vc17 3D Depiction of vc17
SMILES C=CC1C/C=C\SS1
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 2
2D and 3D depictions 2D Depiction of vc17 3D Depiction of vc17
SMILES C=CCS(=O)CC([NH3+])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