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Job #347 - DB01196-DB01380-DB06796-DB09403-DB14650

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	DB01380
2D and 3D depictions
SMILES	CC(=O)OCC(=O)[C@]4(O)CC[C@H]3[C@@H]2CC/C1=C/C(=O)CC[C@]1(C)[C@H]2C(=O)C[C@@]34C
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	DB01196
2D and 3D depictions
SMILES	C[C@@]34CC[C@H]2c1ccc(OC(=O)N(CCCl)CCCl)cc1CC[C@H]2[C@H]3CC[C@H]4O
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	DB09403
2D and 3D depictions
SMILES	CC(=O)N(C[C@H](C)C(=O)O)c1c(I)cc(I)c(N)c1I
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	DB06796
2D and 3D depictions
SMILES	Cc2nc(COP(=O)(O)O)cc(CN(CCN(CC(=O)[O-])Cc1cc(COP(=O)(O)O)nc(C)c1O)CC(=O)[O-])c2O
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	DB14650
2D and 3D depictions
SMILES	Cc2cc(OP(=O)(O)O)c1ccccc1c2OP(=O)(O)O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10