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Job #336 - ICV802-ICV842

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	ICV805
2D and 3D depictions
SMILES	C[C@H](c1cccc2ccccc12)N4CCC(C(=O)NCc3cc(F)cc(NC(=O)CN(C)C)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	ICV804
2D and 3D depictions
SMILES	C[C@H](c1cccc2ccccc12)N5CCC(C(=O)NCc4cccc(NC(=O)N3CCN(C)CC3)c4)CC5
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	ICV802
2D and 3D depictions
SMILES	C[C@H](c1cccc2ccccc12)N4CCC(C(=O)NCC3CCN(C)CC3)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 4

Name	ICV806
2D and 3D depictions
SMILES	C[C@H](c1cccc2ccccc12)N5CCC(C(=O)NCc4cc(F)cc(NC(=O)N3CCN(C)CC3)c4)CC5
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	ICV803
2D and 3D depictions
SMILES	C[C@H](c1cccc2ccccc12)N4CCC(C(=O)NCc3cccc(NC(=O)CN(C)C)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