Job #112 - Hydroxychloroquine

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Hydroxychloroquine
2D and 3D depictions 2D Depiction of Hydroxychloroquine 3D Depiction of Hydroxychloroquine
SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
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 Chloroquine
2D and 3D depictions 2D Depiction of Hydroxychloroquine 3D Depiction of Hydroxychloroquine
SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10