Job #191 - p62_compounds

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name XRK3F2
2D and 3D depictions 2D Depiction of p62_compounds 3D Depiction of p62_compounds
SMILES OCCNCc3ccc(OCc1ccc(F)cc1)c(OCc2ccc(F)cc2)c3
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 XIE5-1-23
2D and 3D depictions 2D Depiction of p62_compounds 3D Depiction of p62_compounds
SMILES N=C(N)N/N=C/c3ccc(OCc1ccccc1)c(OCc2ccccc2)c3
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 XIE5-2-25
2D and 3D depictions 2D Depiction of p62_compounds 3D Depiction of p62_compounds
SMILES N=C(N)N/N=C/c3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3
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 XRK3
2D and 3D depictions 2D Depiction of p62_compounds 3D Depiction of p62_compounds
SMILES OCCNCc3ccc(OCc1ccccc1)c(OCc2ccccc2)c3
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 XIE106
2D and 3D depictions 2D Depiction of p62_compounds 3D Depiction of p62_compounds
SMILES Fc4ccc(COc2ccc(CNCC1CCCCC1)cc2OCc3ccc(F)cc3)cc4
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10