Job #99 - Danoprevir

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models
Name Danoprevir
2D and 3D depictions 2D Depiction of Danoprevir 3D Depiction of Danoprevir
SMILES CC(C)(C)OC(=O)N[C@@H]6CCCCC/C=C\[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]5C[C@@H](OC(=O)N4Cc3cccc(F)c3C4)CN5C6=O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10