Job #226 - anti-pain drug nv2

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Sulfasalazine
2D and 3D depictions 2D Depiction of anti-pain drug nv2 3D Depiction of anti-pain drug nv2
SMILES O=C(O)c3cc(/N=N/c2ccc(S(=O)(=O)Nc1ccccn1)cc2)ccc3O
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 Aceclofenac
2D and 3D depictions 2D Depiction of anti-pain drug nv2 3D Depiction of anti-pain drug nv2
SMILES O=C(O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
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 Alclofenac
2D and 3D depictions 2D Depiction of anti-pain drug nv2 3D Depiction of anti-pain drug nv2
SMILES C=CCOc1ccc(CC(=O)O)cc1Cl
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 Curcumin
2D and 3D depictions 2D Depiction of anti-pain drug nv2 3D Depiction of anti-pain drug nv2
SMILES COc2cc(/C=C/C(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1)ccc2O
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 Fentanyl
2D and 3D depictions 2D Depiction of anti-pain drug nv2 3D Depiction of anti-pain drug nv2
SMILES CCC(=O)N(c1ccccc1)C3CCN(CCc2ccccc2)CC3
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10