Job #421 - Nirmatrelvir and Ritonavir combination

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Ritonavir
2D and 3D depictions 2D Depiction of Nirmatrelvir and Ritonavir combination 3D Depiction of Nirmatrelvir and Ritonavir combination
SMILES CC(C)c4nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4
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 Nirmatrelvir
2D and 3D depictions 2D Depiction of Nirmatrelvir and Ritonavir combination 3D Depiction of Nirmatrelvir and Ritonavir combination
SMILES CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC3C(C1C(=O)NC(C#N)CC2CCNC2=O)C3(C)C
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10