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Job #345 - DB01092-DB01256-DB06288-DB09164-DB13279

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	DB09164
2D and 3D depictions
SMILES	CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=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

Ligand Models 2

Name	DB01256
2D and 3D depictions
SMILES	C=C[C@]5(C)C[C@@H](OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C)[C@@]3(C)[C@@H](C)CC[C@@]4(CCC(=O)[C@@H]34)[C@H](C)[C@H]5O
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	DB06288
2D and 3D depictions
SMILES	CCN1CCC[C@H]1CNC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC
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	DB13279
2D and 3D depictions
SMILES	CCOC(=O)COc2ccc1c(C)c(CCN(CC)CC)c(=O)oc1c2
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	DB01092
2D and 3D depictions
SMILES	C[C@H]6O[C@H](O[C@@H]5C[C@@H](O)[C@]4(CO)[C@H]3[C@@H](O)C[C@]2(C)[C@H](/C1=C/C(=O)OC1)CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C5)[C@H](O)[C@H](O)[C@H]6O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10