Job #416 - Yixuan's drug22-virus-ckb2

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Telaprevir
2D and 3D depictions 2D Depiction of Yixuan's drug22-virus-ckb2 3D Depiction of Yixuan's drug22-virus-ckb2
SMILES CCC[C@H](NC(=O)[C@@H]2[C@H]1CCC[C@H]1CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3cnccn3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5
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 Telaprevir01
2D and 3D depictions 2D Depiction of Yixuan's drug22-virus-ckb2 3D Depiction of Yixuan's drug22-virus-ckb2
SMILES CCCC[C@H](NC(=O)[C@@H]2[C@H]1CCC[C@H]1CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3cnccn3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10