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Job #378 - WEP

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	Pyranojacareubin
2D and 3D depictions
SMILES	CC5(C)/C=C\c4c(cc3[oH+]c2c(O)c1OC(C)(C)/C=C\c1cc2c(=O)c3c4O)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	Soulattrin
2D and 3D depictions
SMILES	C=CC(C)(C)c3c(O)ccc4c(=O)c2c(O)c1/C=C\C(C)(C)Oc1c(O)c2[oH+]c34
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	Phylattrin
2D and 3D depictions
SMILES	COc3cc2[oH+]c1c(O)cc(C/C=C(C)\C)c(OC)c1c(=O)c2c(C)c3C/C=C(C)/C
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	Inophinnin
2D and 3D depictions
SMILES	COc3c(C/C=C(C)\C)cc(O)c4[oH+]c2c1O[C@@H](C)C(C)(C)c1cc(O)c2c(=O)c34
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	Inophinone
2D and 3D depictions
SMILES	C/C(C)=C/Cc4c1OC(C)(C)/C=C\c1c(O)c5c(=O)c3c2OC(C)(C)/C=C\c2c(O)cc3oc45
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10