Job #86 - LTJv10

Created at: Last updated at: Current status:

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 Overall Progress
99.278%
 Ligand Models 1
Name Cidofovir
2D and 3D depictions 2D Depiction of LTJv10 3D Depiction of LTJv10
SMILES Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1
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 Efavirenz
2D and 3D depictions 2D Depiction of LTJv10 3D Depiction of LTJv10
SMILES O=C3Nc1ccc(Cl)cc1[C@@](C#CC2CC2)(C(F)(F)F)O3
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 Peramivir
2D and 3D depictions 2D Depiction of LTJv10 3D Depiction of LTJv10
SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](NC(=N)N)C[C@H](C(=O)O)[C@H]1O
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 Valaciclovir
2D and 3D depictions 2D Depiction of LTJv10 3D Depiction of LTJv10
SMILES CC(C)[C@H](N)C(=O)OCCOCn2cnc1c(=O)nc(N)[nH]c12
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 Velpatasvir
2D and 3D depictions 2D Depiction of LTJv10 3D Depiction of LTJv10
SMILES COC[C@H]9C[C@@H](c7ncc(c1ccc6c(c1)COc5cc4c(ccc3nc([C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c34)cc56)[nH]7)N(C(=O)[C@H](NC(=O)OC)c8ccccc8)C9
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10