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Job #455 - MM_test_1

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	MM174
2D and 3D depictions
SMILES	C=C3C(=O)N(c1cn(C)cn1)[C@H]4c2c(CO)c(C)cc2=C(C(C)C)CC[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	MM173
2D and 3D depictions
SMILES	CC(C)(C)/C3=C/2CC(=O)/C(c1ccccc1)=C2/[C@H]4[C@H](CC3)/C(=C\CO)C(=O)N4c5cncnc5
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	MM167
2D and 3D depictions
SMILES	C=C3C(=O)N(c1cccs1)[C@H]4c2cc(C)cc2=C(C)CC[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 4

Name	MM166
2D and 3D depictions
SMILES	C=C4C(=O)N(c1cccs1)[C@H]5/C3=C(c2ccccc2)/C(=O)C[C@@]3(O)[C@H](O)CC[C@@H]45
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10