Job #353 - wep

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name Naringenin
2D and 3D depictions 2D Depiction of wep 3D Depiction of wep
SMILES O=C2CC(c1ccc(O)cc1)Oc3cc(O)cc(O)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 2
Name Luteolin
2D and 3D depictions 2D Depiction of wep 3D Depiction of wep
SMILES O=c2cc(c1ccc(O)c(O)c1)oc3cc(O)cc(O)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 N3
2D and 3D depictions 2D Depiction of wep 3D Depiction of wep
SMILES Cc3cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C\C(=O)OCc1ccccc1)C[C@@H]2CCNC2=O)C(C)C)no3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10