Job #182 - New v1

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Enisamium iodide
2D and 3D depictions 2D Depiction of New v1 3D Depiction of New v1
SMILES C[n+]2ccc(C(=O)NCc1ccccc1)cc2.[I-]
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 Umifenovir
2D and 3D depictions 2D Depiction of New v1 3D Depiction of New v1
SMILES CCOC(=O)c2c(CSc1ccccc1)n(C)c3cc(Br)c(O)c(CN(C)C)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 3
Name Ribavirin
2D and 3D depictions 2D Depiction of New v1 3D Depiction of New v1
SMILES NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)n2
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 Favipiravir
2D and 3D depictions 2D Depiction of New v1 3D Depiction of New v1
SMILES NC(=O)c1nc(F)cnc1O
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 Sofosbuvir
2D and 3D depictions 2D Depiction of New v1 3D Depiction of New v1
SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]2O[C@@H](n1ccc(=O)[nH]c1=O)[C@](C)(F)[C@@H]2O)Oc3ccccc3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10