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IC50
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EC50
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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50380152
=
E50
in crystal structure
3SAX
3SAX-results_BindingDB_50329833.mol2
3SAX.mol2
3SAX-results_BindingDB_50329835.mol2
BindingDB_50380142.mol2
prot-log.txt
BindingDB_50380139.docklog
3SAX-voxthresh-8.pdb
BindingDB_50380159.docklog.mol2
BindingDB_50380159.docklog
BindingDB_50380142.docklog.mol2
BindingDB_50380141.mol2
3SAX-results_BindingDB_50380152.mol2
3SAX_ligand2.mol2
BindingDB_50380152.frags.mol2
BindingDB_50380139.docklog.mol2
BindingDB_50380140.docklog.mol2
3SAX.csv
3SAX-results_BindingDB_50380141.mol2
BindingDB_50380152.mol2
BindingDB_50380146.frags.mol2
3SAX_congener-log.txt
3SAX-voxthresh-7.pdb
bdb_3SAX_E50_sim.txt
BindingDB_50380142.docklog.results_tab.log
BindingDB_50380138.docklog.results_tab.log
3SAX-marked-protein.pdb
BindingDB_50380151.docklog.results_tab.log
BindingDB_50380141.frags.mol2
BindingDB_50329833.frags.mol2
BindingDB_50380138.docklog
BindingDB_50329835.docklog
BindingDB_50380140.frags.mol2
3SAX-voxthresh-1.pdb
BindingDB_50329836.mol2
BindingDB_50380151.frags.mol2
log-results.mol2
BindingDB_50329835.docklog.results_tab.log
BindingDB_50380139.mol2
BindingDB_50329833.docklog.results_tab.log
BindingDB_50380155.docklog
BindingDB_50329833.docklog
3SAX-voxthresh-0.pdb
3SAX.opt-protein-trim.mol2
3SAX-results_BindingDB_50380151.mol2
3SAX_sdf-log.txt
BindingDB_50329836.frags.mol2
BindingDB_50380152.docklog.mol2
3SAX_water.mol2
log-results_tab.log
BindingDB_50380158.frags.mol2
3SAX_congener.mol2
BindingDB_50380142.docklog
BindingDB_50380146.docklog.results_tab.log
protein_sampling.mol2
BindingDB_50380139.frags.mol2
3SAX-voxthresh-5.pdb
BindingDB_50380151.mol2
BindingDB_50380155.mol2
BindingDB_50329836.docklog
3SAX-voxthresh-2.pdb
BindingDB_50380140.docklog
BindingDB_50380151.docklog.mol2
BindingDB_50380138.mol2
log
BindingDB_50380141.docklog
3SAX-results_BindingDB_50380142.mol2
BindingDB_50380146.mol2
ligand_sampling.mol2
3SAX-marked-vox.pdb
3SAX-results_BindingDB_50380138.mol2
BindingDB_50380141.docklog.mol2
BindingDB_50380158.docklog.mol2
BindingDB_50380146.docklog
3SAX-results_BindingDB_50380158.mol2
BindingDB_50380152.docklog.results_tab.log
BindingDB_50380155.frags.mol2
BindingDB_50380141.docklog.results_tab.log
3SAX-results_tab.log
3SAX-results_BindingDB_50380140.mol2
3SAX-results_BindingDB_50380146.mol2
BindingDB_50380155.docklog.results_tab.log
BindingDB_50329836.docklog.mol2
BindingDB_50329835.docklog.mol2
3SAX-voxthresh-6.pdb
3SAX.pdb
scale
BindingDB_50329833.mol2
frag2.mol2
BindingDB_50380138.frags.mol2
prot.mol2
3SAX_sdf.mol2
BindingDB_50380146.docklog.mol2
3SAX-results_BindingDB_50380139.mol2
3SAX-voxthresh-3.pdb
3SAX_ligand0.mol2
BindingDB_50380153.docklog.mol2
BindingDB_50380140.docklog.results_tab.log
BindingDB_50380155.docklog.mol2
BindingDB_50380158.docklog.results_tab.log
UnDockable.list
BindingDB_50380159.docklog.results_tab.log
3SAX-results_BindingDB_50380153.mol2
3SAX.Targets
BindingDB_50380140.mol2
bdb_3SAX_E50_3D.sdf
BindingDB_50380153.docklog.results_tab.log
BindingDB_50380152.docklog
BindingDB_50380153.mol2
BindingDB_50329836.docklog.results_tab.log
BindingDB_50380138.docklog.mol2
BindingDB_50380153.docklog
3SAX-results.mol2
BindingDB_50380139.docklog.results_tab.log
BindingDB_50380153.frags.mol2
BindingDB_50380159.frags.mol2
BindingDB_50380158.mol2
BindingDB_50329835.mol2
3SAX_ligand3.mol2
BindingDB_50380142.frags.mol2
3SAX_ligand1.mol2
3SAX-voxthresh-4.pdb
BindingDB_50380151.docklog
E50.sdf
BindingDB_50380159.mol2
3SAX-results_BindingDB_50380155.mol2
frag1.mol2
3SAX-voxthresh-9.pdb
BindingDB_50329835.frags.mol2
3SAX-results_BindingDB_50329836.mol2
BindingDB_50329833.docklog.mol2
3SAX-protomol.mol2
BindingDB_50380158.docklog