Job #209 - TestNK

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models
Name Aprepitant
2D and 3D depictions 2D Depiction of TestNK 3D Depiction of TestNK
SMILES C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10