Job #224 - Non anti-pain drug nv2

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Hydrochlorothiazide
2D and 3D depictions 2D Depiction of Non anti-pain drug nv2 3D Depiction of Non anti-pain drug nv2
SMILES NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
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 Dolutegravir
2D and 3D depictions 2D Depiction of Non anti-pain drug nv2 3D Depiction of Non anti-pain drug nv2
SMILES C[C@@H]3CCO[C@H]4Cn2cc(C(=O)NCc1ccc(F)cc1F)c(=O)c(O)c2C(=O)N34
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 Metolazone
2D and 3D depictions 2D Depiction of Non anti-pain drug nv2 3D Depiction of Non anti-pain drug nv2
SMILES Cc1ccccc1N3C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC3C
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 Bendroflumethiazide
2D and 3D depictions 2D Depiction of Non anti-pain drug nv2 3D Depiction of Non anti-pain drug nv2
SMILES NS(=O)(=O)c1cc3c(cc1C(F)(F)F)NC(Cc2ccccc2)NS3(=O)=O
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 Hydralazine
2D and 3D depictions 2D Depiction of Non anti-pain drug nv2 3D Depiction of Non anti-pain drug nv2
SMILES NNc1nncc2ccccc12
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10