We use cookies to improve your website experience and to gain insights into our websites' users, traffic and traffic providers to make it even better. You consent to our cookies if you continue to use our website.

Job #341 - ICV827-ICV831

Created at: Last updated at: Current status:

See Detailed Output Download CSV

Overall Progress

100.000%

Ligand Models 1

Name	ICV830
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCC1CC1)/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 2

Name	ICV829
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C(F)=C(OCC1/C=C\C=C/C1Cl)/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	ICV827
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCC1/C=C\C=C/C1Cl)/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	ICV831
2D and 3D depictions
SMILES	O=C3/C(C1/C=C(Cl)\C=C(OCCC(F)(F)F)/C1)=C\C(c2c[nH]c(=O)[nH]c2=O)CN3C4/C=N\C=C/C4
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	ICV828
2D and 3D depictions
SMILES	O=C4/C(C2/C=C(Cl)\C=C(OCc1ccc(F)cc1Cl)/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