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Job #348 - DB00254-DB00511-DB00734-DB00917-DB00997

Created at: Last updated at: Current status:

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Overall Progress

99.902%

Ligand Models 1

Name	DB00254
2D and 3D depictions
SMILES	C[C@@H]4c1cccc(O)c1C(=O)/C3=C(O)/[C@@]2(O)C(=O)/C(C(N)=O)=C(O)\[C@H](N(C)C)[C@H]2[C@@H](O)[C@H]34
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	DB00511
2D and 3D depictions
SMILES	CC(=O)O[C@H]8C[C@@H](O[C@@H]7[C@@H](C)O[C@@H](O[C@H]6[C@H](C)O[C@H](O[C@@H]5CC[C@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@@]4(C)[C@@H](/C2=C/C(=O)OC2)CC[C@]34O)C5)C[C@H]6O)C[C@@H]7O)O[C@@H](C)[C@H]8O
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	DB00997
2D and 3D depictions
SMILES	COc4cccc5c(=O)c3c(O)c2C[C@](O)(C(=O)CO)C[C@H](O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1)c2c(O)c3c(=O)c45
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	DB00734
2D and 3D depictions
SMILES	Cc2nc1CCCCn1c(=O)c2CCN5CCC(c3noc4cc(F)ccc34)CC5
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	DB00917
2D and 3D depictions
SMILES	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=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