Job #425 - Remdesivir and Remdesivir triphosphate

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 Overall Progress
99.365%
 Ligand Models 1
Name Remdesivir
2D and 3D depictions 2D Depiction of Remdesivir and Remdesivir triphosphate 3D Depiction of Remdesivir and Remdesivir triphosphate
SMILES CCC(CC)COC(=O)C(C)NP(=O)(OCC3OC(C#N)(c1ccc2c(N)ncnn12)C(O)C3O)Oc4ccccc4
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 Remdesivir triphosphate
2D and 3D depictions 2D Depiction of Remdesivir and Remdesivir triphosphate 3D Depiction of Remdesivir and Remdesivir triphosphate
SMILES N#CC3(c1ccc2c(N)ncnn12)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10