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Job #351 - DB01222-DB06145-DB09134-DB12865

Created at: Last updated at: Current status:

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Overall Progress

99.756%

Ligand Models 1

Name	DB01222
2D and 3D depictions
SMILES	CCC[C@H]5O[C@H]4C[C@H]3[C@@H]2CC/C1=C/C(=O)/C=C\[C@]1(C)[C@H]2[C@H](O)C[C@]3(C)[C@]4(C(=O)CO)O5
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	DB06145
2D and 3D depictions
SMILES	CO[C@H]2[C@H](O)CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O[C@@H]1CC[C@@H](N(C)C)[C@@H](C)O1)[C@H](C)C[C@H](CC=O)[C@H]2O[C@@H]4O[C@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@@H](C)O3)[C@H](N(C)C)[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	DB12865
2D and 3D depictions
SMILES	CC(=O)N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=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 4

Name	DB09134
2D and 3D depictions
SMILES	O=C(CO)N(CCO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10