Job #91 - LTJv15

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Zanamivir
2D and 3D depictions 2D Depiction of LTJv15 3D Depiction of LTJv15
SMILES CC(=O)N[C@@H]1[C@@H](/N=C(N)\N)\C=C(C(=O)O)/O[C@H]1[C@H](O)[C@H](O)CO
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 Ganciclovir
2D and 3D depictions 2D Depiction of LTJv15 3D Depiction of LTJv15
SMILES Nc2nc1c(ncn1COC(CO)CO)c(=O)[nH]2
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 Acyclovir
2D and 3D depictions 2D Depiction of LTJv15 3D Depiction of LTJv15
SMILES Nc2nc(=O)c1ncn(COCCO)c1[nH]2
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 Entecavir
2D and 3D depictions 2D Depiction of LTJv15 3D Depiction of LTJv15
SMILES C=C1[C@H](CO)[C@@H](O)C[C@@H]1n3cnc2c(=O)nc(N)[nH]c23
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 Trifluridine
2D and 3D depictions 2D Depiction of LTJv15 3D Depiction of LTJv15
SMILES O=c2[nH]c(=O)n([C@H]1C[C@H](O)[C@@H](CO)O1)cc2C(F)(F)F
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10