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Job #340 - ICV822-ICV826

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	ICV822
2D and 3D depictions
SMILES	CC1/C=C\C=C/C1CO/C5=C/C(Cl)=C\C(\C4=C\C(c2c[nH]c(=O)[nH]c2=O)CN(C3/C=N\C=C/C3)C4=O)C5
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	ICV825
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCC1/C=C\C=C(F)/C1)/C2)=C\C(c3c[nH]c(=O)[nH]c3=O)CN4C5/C=N\C=C/C5
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	ICV824
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCC1/C=C\C=C/C1F)/C2)=C\C(c3c[nH]c(=O)[nH]c3=O)CN4C5/C=N\C=C/C5
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	ICV823
2D and 3D depictions
SMILES	C/C5=C/C=C\C(CO/C4=C/C(Cl)=C\C(\C3=C\C(c1c[nH]c(=O)[nH]c1=O)CN(C2/C=N\C=C/C2)C3=O)C4)C5
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	ICV826
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCC1/C(F)=C\C=C/C1F)/C2)=C\C(c3c[nH]c(=O)[nH]c3=O)CN4C5/C=N\C=C/C5
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10