Job #335 - TEST

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name ICV339
2D and 3D depictions 2D Depiction of TEST 3D Depiction of TEST
SMILES C[C@H](C2C/C=C\c1ccccc12)N4CCC(C(=O)NCc3cccc(F)c3)CC4
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 ICV346
2D and 3D depictions 2D Depiction of TEST 3D Depiction of TEST
SMILES CO/C\4=C/C(CNC(=O)C3CCN([C@H](C)C2C/C=C\c1ccccc12)CC3)C/C=N4
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 ICV333
2D and 3D depictions 2D Depiction of TEST 3D Depiction of TEST
SMILES CC(=O)Nc4cccc(CNC(=O)C3CCN([C@H](C)C2C/C=C\c1ccccc12)CC3)c4
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10