Job #240 - tia

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models
Name aprepitant
2D and 3D depictions 2D Depiction of tia 3D Depiction of tia
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