Job #192 - p62_compounds_2

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name XIE2008
2D and 3D depictions 2D Depiction of p62_compounds_2 3D Depiction of p62_compounds_2
SMILES CC(C)NCC(O)COc3ccc(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 2
Name XIE5-2-35
2D and 3D depictions 2D Depiction of p62_compounds_2 3D Depiction of p62_compounds_2
SMILES Clc4ccc(COc2ccc(CNCc1ccccn1)cc2OCc3ccc(Cl)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
 Ligand Models 3
Name XIE5-2-9
2D and 3D depictions 2D Depiction of p62_compounds_2 3D Depiction of p62_compounds_2
SMILES CCN(CC)c4ccc(CNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3)cc4
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 XIE5-2-17
2D and 3D depictions 2D Depiction of p62_compounds_2 3D Depiction of p62_compounds_2
SMILES Fc4ccc(COc2ccc(CNCCCN1CCOCC1)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