Job #218 - Non anti-pain drug v2

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Captopril
2D and 3D depictions 2D Depiction of Non anti-pain drug v2 3D Depiction of Non anti-pain drug v2
SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(=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 Fosinopril
2D and 3D depictions 2D Depiction of Non anti-pain drug v2 3D Depiction of Non anti-pain drug v2
SMILES CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N3C[C@H](C2CCCCC2)C[C@H]3C(=O)O)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 3
Name Lisinopril
2D and 3D depictions 2D Depiction of Non anti-pain drug v2 3D Depiction of Non anti-pain drug v2
SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=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 4
Name Ramipril
2D and 3D depictions 2D Depiction of Non anti-pain drug v2 3D Depiction of Non anti-pain drug v2
SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N3[C@H](C(=O)O)C[C@@H]2CCC[C@@H]23
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 Moexipril
2D and 3D depictions 2D Depiction of Non anti-pain drug v2 3D Depiction of Non anti-pain drug v2
SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N3Cc2cc(OC)c(OC)cc2C[C@H]3C(=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