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Job #346 - DB00223-DB00374-DB00663-DB00838-DB00984

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	DB00374
2D and 3D depictions
SMILES	CCCCC[C@@H](O)CC[C@@H]3[C@@H](O)C[C@H]2Cc1c(cccc1OCC(=O)O)C[C@H]23
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	DB00984
2D and 3D depictions
SMILES	C[C@@]34CC[C@H]2[C@H]1CCC(=O)/C=C1/CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)CCc5ccccc5
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	DB00663
2D and 3D depictions
SMILES	C[C@@H]4C[C@@H]3[C@@H]2C[C@@H](F)/C1=C/C(=O)/C=C\[C@@]1(C)[C@]2(F)[C@@H](O)C[C@]3(C)[C@]4(O)C(=O)CO
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	DB00838
2D and 3D depictions
SMILES	C[C@H]4C[C@H]3[C@H]2C[C@@H](F)/C1=C/C(=O)/C=C\[C@@]1(C)[C@]2(Cl)[C@@H](O)C[C@]3(C)[C@H]4C(=O)CO
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	DB00223
2D and 3D depictions
SMILES	C[C@H]4C[C@H]3[C@H]2C[C@@H](F)/C1=C/C(=O)/C=C\[C@@]1(C)[C@]2(F)[C@@H](O)C[C@]3(C)[C@]4(O)C(=O)CO
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10