Job #304 - handmm

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name pmi
2D and 3D depictions 2D Depiction of handmm 3D Depiction of handmm
SMILES CCC4CN3CCC2(Nc1cccc(OC)c1C2=O)C3CC4/C(=C\OC)C(=O)OC
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 mi
2D and 3D depictions 2D Depiction of handmm 3D Depiction of handmm
SMILES CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC
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 7mi
2D and 3D depictions 2D Depiction of handmm 3D Depiction of handmm
SMILES CCC4CN3CCC2(O)/C(=N\c1cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10