Job #77 - LTJv1

Created at: Last updated at: Current status:


See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name Fosinopril
2D and 3D depictions 2D Depiction of LTJv1 3D Depiction of LTJv1
SMILES CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N3C[C@H](C2CCCCC2)C[C@H]3C(=O)O)C(C)C
Model downloads
Fingerprints
 Ligand Models 2
Name abacavir
2D and 3D depictions 2D Depiction of LTJv1 3D Depiction of LTJv1
SMILES Nc4nc(NC1CC1)c3ncn([C@H]2/C=C\[C@@H](CO)C2)c3n4
Model downloads
Fingerprints
 Ligand Models 3
Name Atazanavir
2D and 3D depictions 2D Depiction of LTJv1 3D Depiction of LTJv1
SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc3ccc(c2ccccn2)cc3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Model downloads
Fingerprints
 Ligand Models 4
Name Peramivir
2D and 3D depictions 2D Depiction of LTJv1 3D Depiction of LTJv1
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
Fingerprints