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Job #360 - 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
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
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
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